azanium 2,3-dioctyl-2-sulfo-butanedioate

Systemtic Name: azanium 2,3-dioctyl-2-sulfo-butanedioate Openeye Name: ammonium 2,3-dioctyl-2-sulfo-butanedioate CAS Name: ammonium 2,3-dioctyl-2-sulfobutanedioate IUPAC Name: azanium 2,3-dioctyl-2-sulfobutanedioate Traditional Name: ammonium 2,3-dioctyl-2-sulfo-succinate Formula: C20H40NO7S- MolecularWeight: 438.5991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)[O-])C(CCCCCCCC)(C(=O)[O-])S(=O)(=O)O.[NH4+]

Isomeric SMILES

CCCCCCCCC(C(=O)[O-])C(CCCCCCCC)(C(=O)[O-])S(=O)(=O)O.[NH4+]

InChI

InChI=1S/C20H38O7S.H3N/c1-3-5-7-9-11-13-15-17(18(21)22)20(19(23)24,28(25,26)27)16-14-12-10-8-6-4-2;/h17H,3-16H2,1-2H3,(H,21,22)(H,23,24)(H,25,26,27);1H3/p-1