(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-nitro-4-(p-tolylthio)phenyl]acrylic acid Formula: C16H13NO4S MolecularWeight: 315.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO4S/c1-11-2-6-13(7-3-11)22-15-8-4-12(5-9-16(18)19)10-14(15)17(20)21/h2-10H,1H3,(H,18,19)/b9-5+