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

Systemtic Name: diazanium 2,2-di(nonan-3-yl)-3-sulfo-butanedioate Openeye Name: diammonium 2,2-bis(1-ethylheptyl)-3-sulfo-butanedioate CAS Name: diammonium 2,2-di(nonan-3-yl)-3-sulfobutanedioate IUPAC Name: diazanium 2,2-di(nonan-3-yl)-3-sulfobutanedioate Traditional Name: diammonium 2,2-bis(1-ethylheptyl)-3-sulfo-succinate Formula: C22H48N2O7S MolecularWeight: 484.69072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S.2H3N/c1-5-9-11-13-15-17(7-3)22(21(25)26,19(20(23)24)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);2*1H3