4-[3-ethoxy-4-(2-methoxycarbonylphenyl)sulfonyloxy-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-ethoxy-4-(2-methoxycarbonylphenyl)sulfonyloxy-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-ethoxy-4-(2-methoxycarbonylphenyl)sulfonyloxy-phenyl]-4-oxo-butanoic acid CAS Name: 4-[3-ethoxy-4-(2-methoxycarbonylphenyl)sulfonyloxyphenyl]-4-oxobutanoic acid IUPAC Name: 4-[3-ethoxy-4-(2-methoxycarbonylphenyl)sulfonyloxyphenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(2-carbomethoxyphenyl)sulfonyloxy-3-ethoxy-phenyl]-4-keto-butyric acid Formula: C20H20O9S MolecularWeight: 436.4324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)O)OS(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)O)OS(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C20H20O9S/c1-3-28-17-12-13(15(21)9-11-19(22)23)8-10-16(17)29-30(25,26)18-7-5-4-6-14(18)20(24)27-2/h4-8,10,12H,3,9,11H2,1-2H3,(H,22,23)