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

Systemtic Name: azanium 2,3-bis(5-ethylheptan-2-yl)-2-sulfo-butanedioate Openeye Name: ammonium 2,3-bis(4-ethyl-1-methyl-hexyl)-2-sulfo-butanedioate CAS Name: ammonium 2,3-bis(5-ethylheptan-2-yl)-2-sulfobutanedioate IUPAC Name: azanium 2,3-bis(5-ethylheptan-2-yl)-2-sulfobutanedioate Traditional Name: ammonium 2,3-bis(4-ethyl-1-methyl-hexyl)-2-sulfo-succinate Formula: C22H44NO7S- MolecularWeight: 466.65226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S.H3N/c1-7-17(8-2)13-11-15(5)19(20(23)24)22(21(25)26,30(27,28)29)16(6)12-14-18(9-3)10-4;/h15-19H,7-14H2,1-6H3,(H,23,24)(H,25,26)(H,27,28,29);1H3/p-1