5-methoxy-2-(2-oxidanyl-3-sulfo-propoxy)benzenesulfonic acid

Systemtic Name: 5-methoxy-2-(2-oxidanyl-3-sulfo-propoxy)benzenesulfonic acid Openeye Name: 2-(2-hydroxy-3-sulfo-propoxy)-5-methoxy-benzenesulfonic acid CAS Name: 2-(2-hydroxy-3-sulfopropoxy)-5-methoxybenzenesulfonic acid IUPAC Name: 2-(2-hydroxy-3-sulfopropoxy)-5-methoxybenzenesulfonic acid Traditional Name: 2-(2-hydroxy-3-sulfo-propoxy)-5-methoxy-besylic acid Formula: C10H14O9S2 MolecularWeight: 342.34276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(CS(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(CS(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C10H14O9S2/c1-18-8-2-3-9(10(4-8)21(15,16)17)19-5-7(11)6-20(12,13)14/h2-4,7,11H,5-6H2,1H3,(H,12,13,14)(H,15,16,17)