3-(2-nitrophenyl)-3-phenylsulfanyl-propanoic acid

Systemtic Name: 3-(2-nitrophenyl)-3-phenylsulfanyl-propanoic acid Openeye Name: 3-(2-nitrophenyl)-3-phenylsulfanyl-propanoic acid CAS Name: 3-(2-nitrophenyl)-3-(phenylthio)propanoic acid IUPAC Name: 3-(2-nitrophenyl)-3-phenylsulfanylpropanoic acid Traditional Name: 3-(2-nitrophenyl)-3-(phenylthio)propionic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4S/c17-15(18)10-14(21-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(19)20/h1-9,14H,10H2,(H,17,18)