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Reference substances

Reference substances

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General information

Inventory

EC number:
241-753-7
EC name:
3-hydroxy-2-(3-hydroxy-2-quinolyl)-1H-inden-1-one
CAS number:
17772-51-9

No inventory information available

Reference substance information

IUPAC name:
3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1H-inden-1-one
Synonyms
Names:
1H-Inden-1-one, 3-hydroxy-2-(3-hydroxy-2-quinolinyl)-
Identifier:
CAS number
17772-51-9
Identifier:
EC name
3-hydroxy-2-(3-hydroxy-2-quinolyl)-1H-inden-1-one
Identifier:
EC number
241-753-7
Identifier:
IUPAC name
3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1H-inden-1-one
Identifier:
IUPAC name
2-(3-hydroxy-1H-quinolin-2-ylidene)indene-1,3-dione
Identifier:
IUPAC name
2-(3-hydroxyquinolin-2-yl)-2H-indene-1,3-dione
Identifier:
IUPAC name
3-hydroxy-2-(3-hydroxy-2-quinolyl)-1H-inden-1-one
Identifier:
IUPAC name
3-hydroxy-2-(3-hydroxy-2-quinolyl)-1H-inden-1-one
Identifier:
IUPAC name
3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1H-inden-1-one
Identifier:
IUPAC name
3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1H-inden-1-one
Identifier:
other: InChl
InChI=1/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,20-21H
Identifier:
other: InChl
1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,20-21H AuxInfo=1/0/N:20,9,8,21,17,6,7,16,18,14,2,4,13,19,1,15,3,5,12,22,11,10/rA:22CCCCCCCCCOONCCCCCCCCCO/rB:;d-1s2;d-2;s1s4;s2;s4;d-7;d-6s8;d5;s3;;d-12;s13;s1s12;s13;s14;d-14;d+15s18;d-17;d-16s20;s19;/rC:5.0564,-2.6713,0;2.6593,-1.8964,0;4.1268,-1.4436,0;2.6593,-3.47,0;4.1268,-3.9241,0;1.3006,-1.1206,0;1.3006,-4.222,0;0,-3.47,0;0,-1.9084,0;4.6273,-5.3782,0;4.6273,0,0;7.3581,-1.3243,0;8.909,-1.3243,0;9.6599,-2.6237,0;6.5595,-2.6832,0;9.6241,-.0119,0;11.1631,-2.6713,0;8.8851,-3.9836,0;7.3344,-3.9836,0;11.926,-1.3243,0;11.175,-.0237,0;6.6073,-5.3545,0;
Identifier:
other: SMILES notation
C1=CC=C2C(=C1)C=C(C(=N2)C3=C(C4=CC=CC=C4C3=O)O)O
Identifier:
other: InChl
InChI=1/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,20-21H
Identifier:
other: InChl
InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/ h1-9,20-21H
Identifier:
other: InChl
InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,20-21H
Identifier:
other: InChl
InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,20-21H
Identifier:
other: SMILES notation
OC1=C(C(=O)C2=C1C=CC=C2)C1=C(O)C=C2C=CC=CC2=N1
Identifier:
other: SMILES notation
Oc1cc2ccccc2nc1C1=C(O)c2ccccc2C1=O
Identifier:
other: SMILES notation
Oc1cc2ccccc2nc1C3=C(O)c4ccccc4C3(=O)
3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1H-inden-1-one

CAS information

CAS number:
17772-51-9

Related substances

Identifiers of related substancesopen allclose all
Identifier:
EC number
Identity:
231-474-9
Identifier:
CAS number
Identity:
7576-65-0
open allclose all
Identifier:
CAS number
Identity:
7576-65-0
Identifier:
EC name
Identity:
2-(3-hydroxy-1H-quinolin-2-ylidene)indene-1,3-dione
Identifier:
EC number
Identity:
231-474-9
Identifier:
IUPAC name
Identity:
2-(3-hydroxy-1H-quinolin-2-ylidene)indene-1,3-dione

Molecular and structural information

Molecular formula:
C18H11NO3
Molecular weight:
289.285
SMILES notation:
OC1=C(C(=O)c2ccccc12)c3nc4ccccc4cc3O
InChl:
InChI=1/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,20-21H
Structural formula:
Chemical structure