2-[2-nitro-5-(phenylmethylsulfanyl)phenyl]ethanoic acid

Systemtic Name: 2-[2-nitro-5-(phenylmethylsulfanyl)phenyl]ethanoic acid Openeye Name: 2-(5-benzylsulfanyl-2-nitro-phenyl)acetic acid CAS Name: 2-[2-nitro-5-(phenylmethylthio)phenyl]acetic acid IUPAC Name: 2-(5-benzylsulfanyl-2-nitrophenyl)acetic acid Traditional Name: 2-[5-(benzylthio)-2-nitro-phenyl]acetic acid Formula: C15H13NO4S MolecularWeight: 303.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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