3-(4-methylphenyl)sulfanyl-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(4-methylphenyl)sulfanyl-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-(p-tolylsulfanyl)naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[(4-methylphenyl)thio]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-(4-methylphenyl)sulfanylnaphthalene-1,2-dione Traditional Name: 4-hydroxy-3-(p-tolylthio)-1,2-naphthoquinone Formula: C17H12O3S MolecularWeight: 296.34038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12O3S/c1-10-6-8-11(9-7-10)21-17-15(19)13-5-3-2-4-12(13)14(18)16(17)20/h2-9,19H,1H3