1-(4-sulfocyclohexyl)oxycyclohexane-1,3-dicarboxylic acid

Systemtic Name: 1-(4-sulfocyclohexyl)oxycyclohexane-1,3-dicarboxylic acid Openeye Name: 1-(4-sulfocyclohexoxy)cyclohexane-1,3-dicarboxylic acid CAS Name: 1-(4-sulfocyclohexyl)oxycyclohexane-1,3-dicarboxylic acid IUPAC Name: 1-(4-sulfocyclohexyl)oxycyclohexane-1,3-dicarboxylic acid Traditional Name: 1-(4-sulfocyclohexoxy)cyclohexane-1,3-dicarboxylic acid Formula: C14H22O8S MolecularWeight: 350.38468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(C(=O)O)OC2CCC(CC2)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1CC(CC(C1)(C(=O)O)OC2CCC(CC2)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C14H22O8S/c15-12(16)9-2-1-7-14(8-9,13(17)18)22-10-3-5-11(6-4-10)23(19,20)21/h9-11H,1-8H2,(H,15,16)(H,17,18)(H,19,20,21)