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Reference substances

Reference substances

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General information

Inventory

EC number:
204-152-0
EC name:
Violanthrene-5,10-dione
CAS number:
116-71-2

No inventory information available

Reference substance information

IUPAC name:
nonacyclo[18.10.2.2^{2,5}.0^{3,16}.0^{4,13}.0^{6,11}.0^{17,31}.0^{22,27}.0^{28,32}]tetratriaconta-1(30),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28,31,33-hexadecaene-12,21-dione
Synonyms
Names:
Anthra?9,1,2-cde?benzo?rst?pentaphene-5,10-dione
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
Identifier:
CAS number
116-71-2
Identifier:
IUPAC name
nonacyclo[18.10.2.2^{2,5}.0^{3,16}.0^{4,13}.0^{6,11}.0^{17,31}.0^{22,27}.0^{28,32}]tetratriaconta-1(30),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28,31,33-hexadecaene-12,21-dione
Identifier:
IUPAC name
nonacyclo[18.10.2.2²,⁵.0³,¹⁶.0⁴,¹³.0⁶,¹¹.0¹⁷,³¹.0²²,²⁷.0²⁸,³²]tetratriaconta-1(30),2(34),3,5(33),6,8,10,13,15,17,19,22,24,26,28,31-hexadecaene-12,21-dione
Identifier:
other: SMILES notation
C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C9=CC=CC=C9C8=O)C2=O
anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione

CAS information

CAS number:
116-71-2

Molecular and structural information

Molecular formula:
C34H16O2
Molecular weight:
456.49
SMILES notation:
O=C1c2ccccc2c3ccc4c5ccc6c7ccccc7C(=O)c8ccc(c9ccc1c3c49)c5c68
InChl:
InChI=1/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-22-12-10-20-18-6-2-4-8-26(18)34(36)28-16-14-24(30(22)32(20)28)23-13-15-27(33)31(19)29(21)23/h1-16H
Structural formula:
Chemical structure