4-oxidanyl-3-(phenylsulfanylmethyl)naphthalene-1,2-dione

Systemtic Name: 4-oxidanyl-3-(phenylsulfanylmethyl)naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-(phenylsulfanylmethyl)naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[(phenylthio)methyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-(phenylsulfanylmethyl)naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[(phenylthio)methyl]-1,2-naphthoquinone Formula: C17H12O3S MolecularWeight: 296.34038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C17H12O3S/c18-15-12-8-4-5-9-13(12)16(19)17(20)14(15)10-21-11-6-2-1-3-7-11/h1-9,18H,10H2