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

Systemtic Name: 3-[4-(4-methylphenyl)sulfanylbutyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[4-(p-tolylsulfanyl)butyl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[4-[(4-methylphenyl)thio]butyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[4-(4-methylphenyl)sulfanylbutyl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[4-(p-tolylthio)butyl]-1,2-naphthoquinone Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCC2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCC2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C21H20O3S/c1-14-9-11-15(12-10-14)25-13-5-4-8-18-19(22)16-6-2-3-7-17(16)20(23)21(18)24/h2-3,6-7,9-12,22H,4-5,8,13H2,1H3