6,7-dioctyl-1-oxidanyl-4-sulfanyl-anthracene-9,10-dione

Systemtic Name: 6,7-dioctyl-1-oxidanyl-4-sulfanyl-anthracene-9,10-dione Openeye Name: 1-hydroxy-6,7-dioctyl-4-sulfanyl-anthracene-9,10-dione CAS Name: 1-hydroxy-4-mercapto-6,7-dioctylanthracene-9,10-dione IUPAC Name: 1-hydroxy-6,7-dioctyl-4-sulfanylanthracene-9,10-dione Traditional Name: 1-hydroxy-4-mercapto-6,7-dioctyl-9,10-anthraquinone Formula: C30H40O3S MolecularWeight: 480.7018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)S)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)S)O)CCCCCCCC

InChI

InChI=1S/C30H40O3S/c1-3-5-7-9-11-13-15-21-19-23-24(20-22(21)16-14-12-10-8-6-4-2)30(33)28-26(34)18-17-25(31)27(28)29(23)32/h17-20,31,34H,3-16H2,1-2H3