3-[(1-nitro-6-oxidanylsulfanyl-cyclohexa-2,4-dien-1-yl)methyl]phenol

Systemtic Name: 3-[(1-nitro-6-oxidanylsulfanyl-cyclohexa-2,4-dien-1-yl)methyl]phenol Openeye Name: 3-[(6-hydroxysulfanyl-1-nitro-cyclohexa-2,4-dien-1-yl)methyl]phenol CAS Name: 6-[(3-hydroxyphenyl)methyl]-6-nitro-1-cyclohexa-2,4-dienesulfenic acid IUPAC Name: 3-[(6-hydroxysulfanyl-1-nitrocyclohexa-2,4-dien-1-yl)methyl]phenol Traditional Name: 3-[(1-nitro-6-sulfeno-cyclohexa-2,4-dien-1-yl)methyl]phenol Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C=C1)(CC2=CC(=CC=C2)O)[N+](=O)[O-])SO

Isomeric SMILES

C1=CC(C(C=C1)(CC2=CC(=CC=C2)O)[N+](=O)[O-])SO

InChI

InChI=1S/C13H13NO4S/c15-11-5-3-4-10(8-11)9-13(14(16)17)7-2-1-6-12(13)19-18/h1-8,12,15,18H,9H2