methyl 3-[2-(hydroxymethyl)-5-nitro-phenyl]sulfanyl-4-oxidanyl-benzoate

Systemtic Name: methyl 3-[2-(hydroxymethyl)-5-nitro-phenyl]sulfanyl-4-oxidanyl-benzoate Openeye Name: methyl 4-hydroxy-3-[2-(hydroxymethyl)-5-nitro-phenyl]sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-(hydroxymethyl)-5-nitrophenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-[2-(hydroxymethyl)-5-nitrophenyl]sulfanylbenzoate Traditional Name: 4-hydroxy-3-[(2-methylol-5-nitro-phenyl)thio]benzoic acid methyl ester Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)[N+](=O)[O-])CO

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C15H13NO6S/c1-22-15(19)9-3-5-12(18)14(6-9)23-13-7-11(16(20)21)4-2-10(13)8-17/h2-7,17-18H,8H2,1H3