sodium 4-(2,5-dimethylcyclohexyl)butane-1-sulfonate

Systemtic Name: sodium 4-(2,5-dimethylcyclohexyl)butane-1-sulfonate Openeye Name: sodium 4-(2,5-dimethylcyclohexyl)butane-1-sulfonate CAS Name: sodium 4-(2,5-dimethylcyclohexyl)-1-butanesulfonate IUPAC Name: sodium 4-(2,5-dimethylcyclohexyl)butane-1-sulfonate Traditional Name: sodium 4-(2,5-dimethylcyclohexyl)butane-1-sulfonate Formula: C12H23NaO3S MolecularWeight: 270.36399

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)CCCCS(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1CCC(C(C1)CCCCS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C12H24O3S.Na/c1-10-6-7-11(2)12(9-10)5-3-4-8-16(13,14)15;/h10-12H,3-9H2,1-2H3,(H,13,14,15);/q;+1/p-1