(Z)-3-[3-nitro-4-(phenylmethylsulfanyl)phenyl]prop-2-enoic acid

Systemtic Name: (Z)-3-[3-nitro-4-(phenylmethylsulfanyl)phenyl]prop-2-enoic acid Openeye Name: (Z)-3-(4-benzylsulfanyl-3-nitro-phenyl)prop-2-enoic acid CAS Name: (Z)-3-[3-nitro-4-(phenylmethylthio)phenyl]-2-propenoic acid IUPAC Name: (Z)-3-(4-benzylsulfanyl-3-nitrophenyl)prop-2-enoic acid Traditional Name: (Z)-3-[4-(benzylthio)-3-nitro-phenyl]acrylic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4S/c18-16(19)9-7-12-6-8-15(14(10-12)17(20)21)22-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,18,19)/b9-7-