5-nitro-2-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 5-nitro-2-(phenylmethylsulfanyl)benzoic acid Openeye Name: 2-benzylsulfanyl-5-nitro-benzoic acid CAS Name: 5-nitro-2-(phenylmethylthio)benzoic acid IUPAC Name: 2-benzylsulfanyl-5-nitrobenzoic acid Traditional Name: 2-(benzylthio)-5-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=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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