3-[8-(4-methylphenyl)sulfanyloctyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[8-(4-methylphenyl)sulfanyloctyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[8-(p-tolylsulfanyl)octyl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[8-[(4-methylphenyl)thio]octyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[8-(4-methylphenyl)sulfanyloctyl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[8-(p-tolylthio)octyl]-1,2-naphthoquinone Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCCCCCC2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCCCCCC2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C25H28O3S/c1-18-13-15-19(16-14-18)29-17-9-5-3-2-4-6-12-22-23(26)20-10-7-8-11-21(20)24(27)25(22)28/h7-8,10-11,13-16,26H,2-6,9,12,17H2,1H3