diazanium 2,2-dioctyl-3-sulfo-butanedioate

Systemtic Name: diazanium 2,2-dioctyl-3-sulfo-butanedioate Openeye Name: diammonium 2,2-dioctyl-3-sulfo-butanedioate CAS Name: diammonium 2,2-dioctyl-3-sulfobutanedioate IUPAC Name: diazanium 2,2-dioctyl-3-sulfobutanedioate Traditional Name: diammonium 2,2-dioctyl-3-sulfo-succinate Formula: C20H44N2O7S MolecularWeight: 456.63756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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