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1,6,7,9,10,12-hexamethylperylene-3,4-dicarboxylic acid

1,6,7,9,10,12-hexamethylperylene-3,4-dicarboxylic acid

Systemtic Name:1,6,7,9,10,12-hexamethylperylene-3,4-dicarboxylic acid
Openeye Name:1,6,7,9,10,12-hexamethylperylene-3,4-dicarboxylic acid
CAS Name:1,6,7,9,10,12-hexamethylperylene-3,4-dicarboxylic acid
IUPAC Name:1,6,7,9,10,12-hexamethylperylene-3,4-dicarboxylic acid
Traditional Name:1,6,7,9,10,12-hexamethylperylene-3,4-dicarboxylic acid
Formula: C28H24O4
MolecularWeight: 424.48776
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C3=C(C=C(C4=C3C(=C(C=C4C(=O)O)C)C5=C2C1=C(C=C5C)C)C(=O)O)C)C


Isomeric SMILES

CC1=CC(=C2C3=C(C=C(C4=C3C(=C(C=C4C(=O)O)C)C5=C2C1=C(C=C5C)C)C(=O)O)C)C


InChI

InChI=1S/C28H24O4/c1-11-7-13(3)20-22-15(5)9-17(27(29)30)24-18(28(31)32)10-16(6)23(26(22)24)21-14(4)8-12(2)19(11)25(20)21/h7-10H,1-6H3,(H,29,30)(H,31,32)


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