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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1,4-dihydroxyanthraquinone

Inventory

EC number:
201-368-7
EC name:
1,4-dihydroxyanthraquinone
CAS number:
81-64-1
CAS number:
81-64-1
Synonyms
Names:
1,4-dihydroxy-9,10-anthracenedione
9,10-Anthracenedione, 1,4-dihydroxy-
Identifier:
IUPAC name
1,4-dihydroxy-9,10-anthraquinone
Identifier:
IUPAC name
1,4-dihydroxy-9,10-dihydroanthracene-9,10-dione
Identifier:
IUPAC name
1,4-dihydroxyanthraquinone
Identifier:
other: InChl
GUEIZVNYDFNHJU-UHFFFAOYSA-N
Identifier:
other: InChl
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
Identifier:
other: InChl
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H AuxInfo=1/0/N:14,15,11,12,16,13,4,3,9,10,6,5,1,2,18,17,8,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18CCCCCCOOCCCCCCCCOO/rB:;s2;s1s3;s2;s1d-5;d2;d1;s6;s5;d+4;d+3;d-10;s11;s12d-14;d-9s13;s10;s9;/rC:3.9657,-4.6361,0;3.9657,-1.548,0;2.6492,-2.3061,0;2.6492,-3.8461,0;5.3064,-2.3141,0;5.3064,-3.8541,0;3.9818,0,0;3.9657,-6.1761,0;6.6229,-4.6441,0;6.6229,-1.5561,0;1.3087,-4.6361,0;1.3087,-1.548,0;7.9714,-2.33,0;0,-3.87,0;0,-2.33,0;7.9714,-3.87,0;6.6468,-.0161,0;6.6149,-6.1761,0;
Identifier:
other: SMILES notation
OC1=CC=C(O)C2=C1C(=O)C1=CC=CC=C1C2=O
Identifier:
other: SMILES notation
c12c(C(c3ccccc3C1=O)=O)c(ccc2O)O
1,4-dihydroxy-9,10-anthraquinone

Molecular and structural information

Molecular formula:
C14H8O4
Molecular weight:
240.211
SMILES notation:
Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
InChl:
InChI=1/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
Structural formula:
Chemical structure

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