sodium 1-[2,5-bis(methoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid

Systemtic Name: sodium 1-[2,5-bis(methoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid Openeye Name: sodium 1-[2,5-bis(methoxycarbonyl)cyclohexoxy]cyclohexanesulfonic acid CAS Name: sodium 1-[2,5-bis(methoxycarbonyl)cyclohexyl]oxy-1-cyclohexanesulfonic acid IUPAC Name: sodium 1-[2,5-bis(methoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid Traditional Name: sodium 1-(2,5-dicarbomethoxycyclohexoxy)cyclohexanesulfonic acid Formula: C16H25NaO8S MolecularWeight: 400.41967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C(C1)OC2(CC[CH-]CC2)S(=O)(=O)O)C(=O)OC.[Na+]

Isomeric SMILES

COC(=O)C1CCC(C(C1)OC2(CC[CH-]CC2)S(=O)(=O)O)C(=O)OC.[Na+]

InChI

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