3-[3,4-bis(methoxycarbonyl)phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[3,4-bis(methoxycarbonyl)phenoxy]propane-1-sulfonic acid Openeye Name: 3-[3,4-bis(methoxycarbonyl)phenoxy]propane-1-sulfonic acid CAS Name: 3-[3,4-bis(methoxycarbonyl)phenoxy]-1-propanesulfonic acid IUPAC Name: 3-[3,4-bis(methoxycarbonyl)phenoxy]propane-1-sulfonic acid Traditional Name: 3-(3,4-dicarbomethoxyphenoxy)propane-1-sulfonic acid Formula: C13H16O8S MolecularWeight: 332.32634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)OCCCS(=O)(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)OCCCS(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C13H16O8S/c1-19-12(14)10-5-4-9(8-11(10)13(15)20-2)21-6-3-7-22(16,17)18/h4-5,8H,3,6-7H2,1-2H3,(H,16,17,18)