4-ethoxy-1-(4-methoxycarbonylphenyl)-4-oxidanylidene-butane-2-sulfonic acid

Systemtic Name: 4-ethoxy-1-(4-methoxycarbonylphenyl)-4-oxidanylidene-butane-2-sulfonic acid Openeye Name: 4-ethoxy-1-(4-methoxycarbonylphenyl)-4-oxo-butane-2-sulfonic acid CAS Name: 4-ethoxy-1-(4-methoxycarbonylphenyl)-4-oxo-2-butanesulfonic acid IUPAC Name: 4-ethoxy-1-(4-methoxycarbonylphenyl)-4-oxobutane-2-sulfonic acid Traditional Name: 1-(4-carbomethoxyphenyl)-4-ethoxy-4-keto-butane-2-sulfonic acid Formula: C14H18O7S MolecularWeight: 330.35352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)CC(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C14H18O7S/c1-3-21-13(15)9-12(22(17,18)19)8-10-4-6-11(7-5-10)14(16)20-2/h4-7,12H,3,8-9H2,1-2H3,(H,17,18,19)