disodium; 2-azanylethanol; 4-oxidanylidene-4-[(E)-12-oxidanyloctadec-9-enoyl]oxy-3-sulfo-butanoate

Systemtic Name: disodium; 2-azanylethanol; 4-oxidanylidene-4-[(E)-12-oxidanyloctadec-9-enoyl]oxy-3-sulfo-butanoate Openeye Name: disodium; 2-aminoethanol; 4-[(E)-12-hydroxyoctadec-9-enoyl]oxy-4-oxo-3-sulfo-butanoate CAS Name: disodium; 2-aminoethanol; 4-[(E)-12-hydroxy-1-oxooctadec-9-enoxy]-4-oxo-3-sulfobutanoate IUPAC Name: disodium; 2-aminoethanol; 4-[(E)-12-hydroxyoctadec-9-enoyl]oxy-4-oxo-3-sulfobutanoate Traditional Name: disodium; 2-aminoethanol; 4-[(E)-12-hydroxyoctadec-9-enoyl]oxy-4-keto-3-sulfo-butyrate Formula: C24H44NNa2O10S+ MolecularWeight: 584.6514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC(=O)C(CC(=O)[O-])S(=O)(=O)O)O.C(CO)N.[Na+].[Na+]

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OC(=O)C(CC(=O)[O-])S(=O)(=O)O)O.C(CO)N.[Na+].[Na+]

InChI

InChI=1S/C22H38O9S.C2H7NO.2Na/c1-2-3-4-11-14-18(23)15-12-9-7-5-6-8-10-13-16-21(26)31-22(27)19(17-20(24)25)32(28,29)30;3-1-2-4;;/h9,12,18-19,23H,2-8,10-11,13-17H2,1H3,(H,24,25)(H,28,29,30);4H,1-3H2;;/q;;2*+1/p-1/b12-9+;;;