sodium 1-[3,5-bis(propan-2-yloxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid

Systemtic Name: sodium 1-[3,5-bis(propan-2-yloxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid Openeye Name: sodium 1-[3,5-bis(isopropoxycarbonyl)cyclohexoxy]cyclohexanesulfonic acid CAS Name: sodium 1-[3,5-bis[oxo(propan-2-yloxy)methyl]cyclohexyl]oxy-1-cyclohexanesulfonic acid IUPAC Name: sodium 1-[3,5-bis(propan-2-yloxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid Traditional Name: sodium 1-[3,5-bis(isopropoxycarbonyl)cyclohexoxy]cyclohexanesulfonic acid Formula: C20H33NaO8S MolecularWeight: 456.52599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC(CC(C1)OC2(CC[CH-]CC2)S(=O)(=O)O)C(=O)OC(C)C.[Na+]

Isomeric SMILES

CC(C)OC(=O)C1CC(CC(C1)OC2(CC[CH-]CC2)S(=O)(=O)O)C(=O)OC(C)C.[Na+]

InChI

InChI=1S/C20H33O8S.Na/c1-13(2)26-18(21)15-10-16(19(22)27-14(3)4)12-17(11-15)28-20(29(23,24)25)8-6-5-7-9-20;/h5,13-17H,6-12H2,1-4H3,(H,23,24,25);/q-1;+1