2-(carboxymethylsulfanyl)-4-oxidanylidene-4-(2,3,4-trimethoxyphenyl)butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-oxidanylidene-4-(2,3,4-trimethoxyphenyl)butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-oxo-4-(2,3,4-trimethoxyphenyl)butanoic acid CAS Name: 2-(carboxymethylthio)-4-oxo-4-(2,3,4-trimethoxyphenyl)butanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-oxo-4-(2,3,4-trimethoxyphenyl)butanoic acid Traditional Name: 2-(carboxymethylthio)-4-keto-4-(2,3,4-trimethoxyphenyl)butyric acid Formula: C15H18O8S MolecularWeight: 358.36362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O)OC)OC

InChI

InChI=1S/C15H18O8S/c1-21-10-5-4-8(13(22-2)14(10)23-3)9(16)6-11(15(19)20)24-7-12(17)18/h4-5,11H,6-7H2,1-3H3,(H,17,18)(H,19,20)