3-(1-hydroxyethyloxycarbonyl)benzenesulfonate

Systemtic Name: 3-(1-hydroxyethyloxycarbonyl)benzenesulfonate Openeye Name: 3-(1-hydroxyethoxycarbonyl)benzenesulfonate CAS Name: 3-[1-hydroxyethoxy(oxo)methyl]benzenesulfonate IUPAC Name: 3-(1-hydroxyethoxycarbonyl)benzenesulfonate Traditional Name: 3-(1-hydroxyethoxycarbonyl)besylate Formula: C9H9O6S- MolecularWeight: 245.22916

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OC(=O)C1=CC(=CC=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(O)OC(=O)C1=CC(=CC=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H10O6S/c1-6(10)15-9(11)7-3-2-4-8(5-7)16(12,13)14/h2-6,10H,1H3,(H,12,13,14)/p-1