2-methyl-7-(4-methylphenyl)sulfanyl-anthra[2,1-b][1]benzothiole-8,13-dione

Systemtic Name: 2-methyl-7-(4-methylphenyl)sulfanyl-anthra[2,1-b][1]benzothiole-8,13-dione Openeye Name: 2-methyl-7-(p-tolylsulfanyl)anthra[2,1-b]benzothiophene-8,13-dione CAS Name: 2-methyl-7-[(4-methylphenyl)thio]anthra[2,1-b][1]benzothiole-8,13-dione IUPAC Name: 2-methyl-7-(4-methylphenyl)sulfanylanthra[2,1-b][1]benzothiole-8,13-dione Traditional Name: 2-methyl-7-(p-tolylthio)anthra[2,1-b]benzothiophene-8,13-quinone Formula: C28H18O2S2 MolecularWeight: 450.57132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C(=C4C(=C2)SC5=C4C=C(C=C5)C)C(=O)C6=CC=CC=C6C3=O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C(=C4C(=C2)SC5=C4C=C(C=C5)C)C(=O)C6=CC=CC=C6C3=O

InChI

InChI=1S/C28H18O2S2/c1-15-7-10-17(11-8-15)31-23-14-22-24(20-13-16(2)9-12-21(20)32-22)26-25(23)27(29)18-5-3-4-6-19(18)28(26)30/h3-14H,1-2H3