azanium 2,3-di(nonan-3-yl)-2-sulfo-butanedioate

Systemtic Name: azanium 2,3-di(nonan-3-yl)-2-sulfo-butanedioate Openeye Name: ammonium 2,3-bis(1-ethylheptyl)-2-sulfo-butanedioate CAS Name: ammonium 2,3-di(nonan-3-yl)-2-sulfobutanedioate IUPAC Name: azanium 2,3-di(nonan-3-yl)-2-sulfobutanedioate Traditional Name: ammonium 2,3-bis(1-ethylheptyl)-2-sulfo-succinate Formula: C22H44NO7S- MolecularWeight: 466.65226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)C(C(=O)[O-])C(C(CC)CCCCCC)(C(=O)[O-])S(=O)(=O)O.[NH4+]

Isomeric SMILES

CCCCCCC(CC)C(C(=O)[O-])C(C(CC)CCCCCC)(C(=O)[O-])S(=O)(=O)O.[NH4+]

InChI

InChI=1S/C22H42O7S.H3N/c1-5-9-11-13-15-17(7-3)19(20(23)24)22(21(25)26,30(27,28)29)18(8-4)16-14-12-10-6-2;/h17-19H,5-16H2,1-4H3,(H,23,24)(H,25,26)(H,27,28,29);1H3/p-1