(Z,12R)-N-(2-hydroxyethyl)-12-oxidanyl-octadec-9-enamide; 2-sulfobutanedioic acid

Systemtic Name: (Z,12R)-N-(2-hydroxyethyl)-12-oxidanyl-octadec-9-enamide; 2-sulfobutanedioic acid Openeye Name: (Z,12R)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide; 2-sulfobutanedioic acid CAS Name: (Z,12R)-12-hydroxy-N-(2-hydroxyethyl)-9-octadecenamide; 2-sulfobutanedioic acid IUPAC Name: (Z,12R)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide; 2-sulfobutanedioic acid Traditional Name: (Z,12R)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide; 2-sulfosuccinic acid Formula: C24H45NO10S MolecularWeight: 539.6798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NCCO)O.C(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCO)O.C(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H39NO3.C4H6O7S/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20(24)21-17-18-22;5-3(6)1-2(4(7)8)12(9,10)11/h9,12,19,22-23H,2-8,10-11,13-18H2,1H3,(H,21,24);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/b12-9-;/t19-;/m1./s1