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

Systemtic Name: 2-[2-(hydroxymethyl)phenyl]sulfanyl-5-nitro-benzoic acid Openeye Name: 2-[2-(hydroxymethyl)phenyl]sulfanyl-5-nitro-benzoic acid CAS Name: 2-[[2-(hydroxymethyl)phenyl]thio]-5-nitrobenzoic acid IUPAC Name: 2-[2-(hydroxymethyl)phenyl]sulfanyl-5-nitrobenzoic acid Traditional Name: 2-[(2-methylolphenyl)thio]-5-nitro-benzoic acid Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO5S/c16-8-9-3-1-2-4-12(9)21-13-6-5-10(15(19)20)7-11(13)14(17)18/h1-7,16H,8H2,(H,17,18)