sodium 1-[2,3-bis(methoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid

Systemtic Name: sodium 1-[2,3-bis(methoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid Openeye Name: sodium 1-[2,3-bis(methoxycarbonyl)cyclohexoxy]cyclohexanesulfonic acid CAS Name: sodium 1-[2,3-bis(methoxycarbonyl)cyclohexyl]oxy-1-cyclohexanesulfonic acid IUPAC Name: sodium 1-[2,3-bis(methoxycarbonyl)cyclohexyl]oxycyclohexane-1-sulfonic acid Traditional Name: sodium 1-(2,3-dicarbomethoxycyclohexoxy)cyclohexanesulfonic acid Formula: C16H25NaO8S MolecularWeight: 400.41967

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC(C1C(=O)OC)OC2(CC[CH-]CC2)S(=O)(=O)O.[Na+]

Isomeric SMILES

COC(=O)C1CCCC(C1C(=O)OC)OC2(CC[CH-]CC2)S(=O)(=O)O.[Na+]

InChI

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