5,8-bis[(4-methylphenyl)sulfanyl]-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 5,8-bis[(4-methylphenyl)sulfanyl]-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 9,10-dioxo-5,8-bis(p-tolylsulfanyl)anthracene-2-carboxylic acid CAS Name: 5,8-bis[(4-methylphenyl)thio]-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 5,8-bis[(4-methylphenyl)sulfanyl]-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 9,10-diketo-5,8-bis(p-tolylthio)anthracene-2-carboxylic acid Formula: C29H20O4S2 MolecularWeight: 496.5967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=C(C=C4)C)C(=O)C5=C(C3=O)C=CC(=C5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=C(C=C4)C)C(=O)C5=C(C3=O)C=CC(=C5)C(=O)O

InChI

InChI=1S/C29H20O4S2/c1-16-3-8-19(9-4-16)34-23-13-14-24(35-20-10-5-17(2)6-11-20)26-25(23)27(30)21-12-7-18(29(32)33)15-22(21)28(26)31/h3-15H,1-2H3,(H,32,33)