2-[4-[(4-nitrophenyl)sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(4-nitrophenyl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-nitrophenyl)sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[(4-nitrophenyl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(4-nitrophenyl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[(4-nitrophenyl)thio]methyl]phenyl]acetic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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