azanium 2,3-bis(5-ethylnonan-2-yl)-2-sulfo-butanedioate

Systemtic Name: azanium 2,3-bis(5-ethylnonan-2-yl)-2-sulfo-butanedioate Openeye Name: ammonium 2,3-bis(4-ethyl-1-methyl-octyl)-2-sulfo-butanedioate CAS Name: ammonium 2,3-bis(5-ethylnonan-2-yl)-2-sulfobutanedioate IUPAC Name: azanium 2,3-bis(5-ethylnonan-2-yl)-2-sulfobutanedioate Traditional Name: ammonium 2,3-bis(4-ethyl-1-methyl-octyl)-2-sulfo-succinate Formula: C26H52NO7S- MolecularWeight: 522.75858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC(C)C(C(=O)[O-])C(C(C)CCC(CC)CCCC)(C(=O)[O-])S(=O)(=O)O.[NH4+]

Isomeric SMILES

CCCCC(CC)CCC(C)C(C(=O)[O-])C(C(C)CCC(CC)CCCC)(C(=O)[O-])S(=O)(=O)O.[NH4+]

InChI

InChI=1S/C26H50O7S.H3N/c1-7-11-13-21(9-3)17-15-19(5)23(24(27)28)26(25(29)30,34(31,32)33)20(6)16-18-22(10-4)14-12-8-2;/h19-23H,7-18H2,1-6H3,(H,27,28)(H,29,30)(H,31,32,33);1H3/p-1