(E)-3-[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-nitro-2-(p-tolylsulfanyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[(4-methylphenyl)thio]-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-nitro-2-(p-tolylthio)phenyl]acrylic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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