sodium 1-[3,5-bis(ethoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid

Systemtic Name: sodium 1-[3,5-bis(ethoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid Openeye Name: sodium 1-[3,5-bis(ethoxycarbonyl)cyclohexoxy]cyclohexanesulfonic acid CAS Name: sodium 1-[3,5-bis(ethoxycarbonyl)cyclohexyl]oxy-1-cyclohexanesulfonic acid IUPAC Name: sodium 1-[3,5-bis(ethoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid Traditional Name: sodium 1-(3,5-dicarbethoxycyclohexoxy)cyclohexanesulfonic acid Formula: C18H29NaO8S MolecularWeight: 428.47283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29O8S.Na/c1-3-24-16(19)13-10-14(17(20)25-4-2)12-15(11-13)26-18(27(21,22)23)8-6-5-7-9-18;/h5,13-15H,3-4,6-12H2,1-2H3,(H,21,22,23);/q-1;+1