3-(5-ethoxycarbonyloxy-2-methoxy-phenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(5-ethoxycarbonyloxy-2-methoxy-phenoxy)propane-1-sulfonic acid Openeye Name: 3-(5-ethoxycarbonyloxy-2-methoxy-phenoxy)propane-1-sulfonic acid CAS Name: 3-(5-ethoxycarbonyloxy-2-methoxyphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(5-ethoxycarbonyloxy-2-methoxyphenoxy)propane-1-sulfonic acid Traditional Name: 3-(5-carbethoxyoxy-2-methoxy-phenoxy)propane-1-sulfonic acid Formula: C13H18O8S MolecularWeight: 334.34222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=CC(=C(C=C1)OC)OCCCS(=O)(=O)O

Isomeric SMILES

CCOC(=O)OC1=CC(=C(C=C1)OC)OCCCS(=O)(=O)O

InChI

InChI=1S/C13H18O8S/c1-3-19-13(14)21-10-5-6-11(18-2)12(9-10)20-7-4-8-22(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16,17)