3-nitro-2-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-nitro-2-(phenylmethylsulfanyl)benzoic acid Openeye Name: 2-benzylsulfanyl-3-nitro-benzoic acid CAS Name: 3-nitro-2-(phenylmethylthio)benzoic acid IUPAC Name: 2-benzylsulfanyl-3-nitrobenzoic acid Traditional Name: 2-(benzylthio)-3-nitro-benzoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11NO4S/c16-14(17)11-7-4-8-12(15(18)19)13(11)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)