3-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-4-hydroxy-1,2-naphthoquinone Formula: C17H11ClO3S MolecularWeight: 330.78544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CSC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CSC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C17H11ClO3S/c18-10-5-7-11(8-6-10)22-9-14-15(19)12-3-1-2-4-13(12)16(20)17(14)21/h1-8,19H,9H2