disodium; (E)-18-(2-azanylethylamino)octadec-9-en-7-ol; 2-sulfobutanedioate

Systemtic Name: disodium; (E)-18-(2-azanylethylamino)octadec-9-en-7-ol; 2-sulfobutanedioate Openeye Name: disodium; (E)-18-(2-aminoethylamino)octadec-9-en-7-ol; 2-sulfobutanedioate CAS Name: disodium; (E)-18-(2-aminoethylamino)-9-octadecen-7-ol; 2-sulfobutanedioate IUPAC Name: disodium; (E)-18-(2-aminoethylamino)octadec-9-en-7-ol; 2-sulfobutanedioate Traditional Name: disodium; (E)-18-(2-aminoethylamino)octadec-9-en-7-ol; 2-sulfosuccinate Formula: C24H46N2Na2O8S MolecularWeight: 568.67518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCCNCCN)O.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCCNCCN)O.C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H42N2O.C4H6O7S.2Na/c1-2-3-4-12-15-20(23)16-13-10-8-6-5-7-9-11-14-18-22-19-17-21;5-3(6)1-2(4(7)8)12(9,10)11;;/h10,13,20,22-23H,2-9,11-12,14-19,21H2,1H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;/q;;2*+1/p-2/b13-10+;;;