disodium 4-[2-(octadec-9-enoylamino)ethoxy]-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 4-[2-(octadec-9-enoylamino)ethoxy]-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-[2-(octadec-9-enoylamino)ethoxy]-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-oxo-4-[2-(1-oxooctadec-9-enylamino)ethoxy]-3-sulfonatobutanoate IUPAC Name: disodium 4-[2-(octadec-9-enoylamino)ethoxy]-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-keto-4-[2-(octadec-9-enoylamino)ethoxy]-3-sulfonato-butyrate Formula: C24H41NNa2O8S MolecularWeight: 549.62878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCC=CCCCCCCCC(=O)NCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H43NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-18-19-33-24(29)21(20-23(27)28)34(30,31)32;;/h9-10,21H,2-8,11-20H2,1H3,(H,25,26)(H,27,28)(H,30,31,32);;/q;2*+1/p-2