3-[2-(hydroxymethyl)-5-nitro-phenyl]sulfanyl-4-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(hydroxymethyl)-5-nitro-phenyl]sulfanyl-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-3-[2-(hydroxymethyl)-5-nitro-phenyl]sulfanyl-benzoic acid CAS Name: 4-hydroxy-3-[[2-(hydroxymethyl)-5-nitrophenyl]thio]benzoic acid IUPAC Name: 4-hydroxy-3-[2-(hydroxymethyl)-5-nitrophenyl]sulfanylbenzoic acid Traditional Name: 4-hydroxy-3-[(2-methylol-5-nitro-phenyl)thio]benzoic acid Formula: C14H11NO6S MolecularWeight: 321.30524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)SC2=C(C=CC(=C2)[N+](=O)[O-])CO)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)SC2=C(C=CC(=C2)[N+](=O)[O-])CO)O

InChI

InChI=1S/C14H11NO6S/c16-7-9-1-3-10(15(20)21)6-12(9)22-13-5-8(14(18)19)2-4-11(13)17/h1-6,16-17H,7H2,(H,18,19)