sodium 6,6-dimethoxy-4,4-bis(oxidanyl)-3-(phenylcarbonyl)cyclohexene-1-sulfonate

Systemtic Name: sodium 6,6-dimethoxy-4,4-bis(oxidanyl)-3-(phenylcarbonyl)cyclohexene-1-sulfonate Openeye Name: sodium 3-benzoyl-4,4-dihydroxy-6,6-dimethoxy-cyclohexene-1-sulfonate CAS Name: sodium 3-benzoyl-4,4-dihydroxy-6,6-dimethoxy-1-cyclohexenesulfonate IUPAC Name: sodium 3-benzoyl-4,4-dihydroxy-6,6-dimethoxycyclohexene-1-sulfonate Traditional Name: sodium 3-benzoyl-4,4-dihydroxy-6,6-dimethoxy-cyclohexene-1-sulfonate Formula: C15H17NaO8S MolecularWeight: 380.34545

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC(C(C=C1S(=O)(=O)[O-])C(=O)C2=CC=CC=C2)(O)O)OC.[Na+]

Isomeric SMILES

COC1(CC(C(C=C1S(=O)(=O)[O-])C(=O)C2=CC=CC=C2)(O)O)OC.[Na+]

InChI

InChI=1S/C15H18O8S.Na/c1-22-15(23-2)9-14(17,18)11(8-12(15)24(19,20)21)13(16)10-6-4-3-5-7-10;/h3-8,11,17-18H,9H2,1-2H3,(H,19,20,21);/q;+1/p-1