3-[3-methyl-3-(4-methylphenyl)sulfanyl-butyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[3-methyl-3-(4-methylphenyl)sulfanyl-butyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[3-methyl-3-(p-tolylsulfanyl)butyl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[3-methyl-3-[(4-methylphenyl)thio]butyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[3-methyl-3-(4-methylphenyl)sulfanylbutyl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[3-methyl-3-(p-tolylthio)butyl]-1,2-naphthoquinone Formula: C22H22O3S MolecularWeight: 366.47328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)(C)CCC2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)(C)CCC2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C22H22O3S/c1-14-8-10-15(11-9-14)26-22(2,3)13-12-18-19(23)16-6-4-5-7-17(16)20(24)21(18)25/h4-11,23H,12-13H2,1-3H3