(E)-4-cyclohexyl-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid

Systemtic Name: (E)-4-cyclohexyl-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid Openeye Name: (E)-4-cyclohexyl-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid CAS Name: (E)-4-cyclohexyl-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)-3-butenoic acid IUPAC Name: (E)-4-cyclohexyl-3-ethoxycarbonyl-4-(4-methylsulfonylphenyl)but-3-enoic acid Traditional Name: (E)-3-carbethoxy-4-cyclohexyl-4-(4-mesylphenyl)but-3-enoic acid Formula: C20H26O6S MolecularWeight: 394.48184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1CCCCC1)C2=CC=C(C=C2)S(=O)(=O)C)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C(\C1CCCCC1)/C2=CC=C(C=C2)S(=O)(=O)C)/CC(=O)O

InChI

InChI=1S/C20H26O6S/c1-3-26-20(23)17(13-18(21)22)19(14-7-5-4-6-8-14)15-9-11-16(12-10-15)27(2,24)25/h9-12,14H,3-8,13H2,1-2H3,(H,21,22)/b19-17+