3-(4-nitrophenyl)sulfanylbutanoic acid

Systemtic Name: 3-(4-nitrophenyl)sulfanylbutanoic acid Openeye Name: 3-(4-nitrophenyl)sulfanylbutanoic acid CAS Name: 3-[(4-nitrophenyl)thio]butanoic acid IUPAC Name: 3-(4-nitrophenyl)sulfanylbutanoic acid Traditional Name: 3-[(4-nitrophenyl)thio]butyric acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4S/c1-7(6-10(12)13)16-9-4-2-8(3-5-9)11(14)15/h2-5,7H,6H2,1H3,(H,12,13)