(Z)-4-(4-chlorophenyl)-3-ethoxycarbonyl-4-methylsulfonyl-but-3-enoic acid

Systemtic Name: (Z)-4-(4-chlorophenyl)-3-ethoxycarbonyl-4-methylsulfonyl-but-3-enoic acid Openeye Name: (Z)-4-(4-chlorophenyl)-3-ethoxycarbonyl-4-methylsulfonyl-but-3-enoic acid CAS Name: (Z)-4-(4-chlorophenyl)-3-ethoxycarbonyl-4-methylsulfonyl-3-butenoic acid IUPAC Name: (Z)-4-(4-chlorophenyl)-3-ethoxycarbonyl-4-methylsulfonylbut-3-enoic acid Traditional Name: (Z)-3-carbethoxy-4-(4-chlorophenyl)-4-mesyl-but-3-enoic acid Formula: C14H15ClO6S MolecularWeight: 346.7833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=C(C=C1)Cl)S(=O)(=O)C)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C(/C1=CC=C(C=C1)Cl)\S(=O)(=O)C)/CC(=O)O

InChI

InChI=1S/C14H15ClO6S/c1-3-21-14(18)11(8-12(16)17)13(22(2,19)20)9-4-6-10(15)7-5-9/h4-7H,3,8H2,1-2H3,(H,16,17)/b13-11-