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

Systemtic Name: sodium 1-[3,5-bis(methoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid Openeye Name: sodium 1-[3,5-bis(methoxycarbonyl)cyclohexoxy]cyclohexanesulfonic acid CAS Name: sodium 1-[3,5-bis(methoxycarbonyl)cyclohexyl]oxy-1-cyclohexanesulfonic acid IUPAC Name: sodium 1-[3,5-bis(methoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid Traditional Name: sodium 1-(3,5-dicarbomethoxycyclohexoxy)cyclohexanesulfonic acid Formula: C16H25NaO8S MolecularWeight: 400.41967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25O8S.Na/c1-22-14(17)11-8-12(15(18)23-2)10-13(9-11)24-16(25(19,20)21)6-4-3-5-7-16;/h3,11-13H,4-10H2,1-2H3,(H,19,20,21);/q-1;+1