(Z)-3-cyclohexyl-2-(4-methylsulfonyl-3-nitro-phenyl)prop-2-enoic acid

Systemtic Name: (Z)-3-cyclohexyl-2-(4-methylsulfonyl-3-nitro-phenyl)prop-2-enoic acid Openeye Name: (Z)-3-cyclohexyl-2-(4-methylsulfonyl-3-nitro-phenyl)prop-2-enoic acid CAS Name: (Z)-3-cyclohexyl-2-(4-methylsulfonyl-3-nitrophenyl)-2-propenoic acid IUPAC Name: (Z)-3-cyclohexyl-2-(4-methylsulfonyl-3-nitrophenyl)prop-2-enoic acid Traditional Name: (Z)-3-cyclohexyl-2-(4-mesyl-3-nitro-phenyl)acrylic acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=CC2CCCCC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)/C(=C/C2CCCCC2)/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO6S/c1-24(22,23)15-8-7-12(10-14(15)17(20)21)13(16(18)19)9-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,18,19)/b13-9-