sodium 5-(1-sulfocyclohexyl)oxycyclohexane-1,3-dicarboxylic acid

Systemtic Name: sodium 5-(1-sulfocyclohexyl)oxycyclohexane-1,3-dicarboxylic acid Openeye Name: sodium 5-(1-sulfocyclohexoxy)cyclohexane-1,3-dicarboxylic acid CAS Name: sodium 5-(1-sulfocyclohexyl)oxycyclohexane-1,3-dicarboxylic acid IUPAC Name: sodium 5-(1-sulfocyclohexyl)oxycyclohexane-1,3-dicarboxylic acid Traditional Name: sodium 5-(1-sulfocyclohexoxy)cyclohexane-1,3-dicarboxylic acid Formula: C14H21NaO8S MolecularWeight: 372.36651

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[CH-]1)(OC2CC(CC(C2)C(=O)O)C(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1CC(CC[CH-]1)(OC2CC(CC(C2)C(=O)O)C(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C14H21O8S.Na/c15-12(16)9-6-10(13(17)18)8-11(7-9)22-14(23(19,20)21)4-2-1-3-5-14;/h1,9-11H,2-8H2,(H,15,16)(H,17,18)(H,19,20,21);/q-1;+1