sodium 2-(3-methyl-3-propan-2-yl-cyclohexyl)oxy-1-oxidanyl-2-oxidanylidene-ethanesulfonate

Systemtic Name: sodium 2-(3-methyl-3-propan-2-yl-cyclohexyl)oxy-1-oxidanyl-2-oxidanylidene-ethanesulfonate Openeye Name: sodium 1-hydroxy-2-(3-isopropyl-3-methyl-cyclohexoxy)-2-oxo-ethanesulfonate CAS Name: sodium 1-hydroxy-2-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2-oxoethanesulfonate IUPAC Name: sodium 1-hydroxy-2-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2-oxoethanesulfonate Traditional Name: sodium 1-hydroxy-2-(3-isopropyl-3-methyl-cyclohexoxy)-2-keto-ethanesulfonate Formula: C12H21NaO6S MolecularWeight: 316.34631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCCC(C1)OC(=O)C(O)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC(C)C1(CCCC(C1)OC(=O)C(O)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C12H22O6S.Na/c1-8(2)12(3)6-4-5-9(7-12)18-10(13)11(14)19(15,16)17;/h8-9,11,14H,4-7H2,1-3H3,(H,15,16,17);/q;+1/p-1