sodium 2,3-dicyclohexyl-2-sulfo-butanedioate

Systemtic Name: sodium 2,3-dicyclohexyl-2-sulfo-butanedioate Openeye Name: sodium 2,3-dicyclohexyl-2-sulfo-butanedioate CAS Name: sodium 2,3-dicyclohexyl-2-sulfobutanedioate IUPAC Name: sodium 2,3-dicyclohexyl-2-sulfobutanedioate Traditional Name: sodium 2,3-dicyclohexyl-2-sulfo-succinate Formula: C16H24NaO7S- MolecularWeight: 383.41233

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)[O-])C(C2CCCCC2)(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

C1CCC(CC1)C(C(=O)[O-])C(C2CCCCC2)(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H26O7S.Na/c17-14(18)13(11-7-3-1-4-8-11)16(15(19)20,24(21,22)23)12-9-5-2-6-10-12;/h11-13H,1-10H2,(H,17,18)(H,19,20)(H,21,22,23);/q;+1/p-2