4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-methoxycarbonyl-cyclohexene-1-sulfonic acid

Systemtic Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-methoxycarbonyl-cyclohexene-1-sulfonic acid Openeye Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-methoxycarbonyl-cyclohexene-1-sulfonic acid CAS Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-methoxycarbonyl-1-cyclohexenesulfonic acid IUPAC Name: 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-methoxycarbonylcyclohexene-1-sulfonic acid Traditional Name: 2-carbomethoxy-4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexene-1-sulfonic acid Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(=C(C2)C(=O)OC)S(=O)(=O)O)C#N)OCC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(=C(C2)C(=O)OC)S(=O)(=O)O)C#N)OCC3CC3

InChI

InChI=1S/C20H23NO7S/c1-26-16-6-5-14(9-17(16)28-11-13-3-4-13)20(12-21)8-7-18(29(23,24)25)15(10-20)19(22)27-2/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,23,24,25)