disodium 4-oxidanylidene-3-sulfonato-4-[2-(undec-10-enoylamino)ethoxy]butanoate

Systemtic Name: disodium 4-oxidanylidene-3-sulfonato-4-[2-(undec-10-enoylamino)ethoxy]butanoate Openeye Name: disodium 4-oxo-3-sulfonato-4-[2-(undec-10-enoylamino)ethoxy]butanoate CAS Name: disodium 4-oxo-4-[2-(1-oxoundec-10-enylamino)ethoxy]-3-sulfonatobutanoate IUPAC Name: disodium 4-oxo-3-sulfonato-4-[2-(undec-10-enoylamino)ethoxy]butanoate Traditional Name: disodium 4-keto-3-sulfonato-4-[2-(undec-10-enoylamino)ethoxy]butyrate Formula: C17H27NNa2O8S MolecularWeight: 451.44272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-15(19)18-11-12-26-17(22)14(13-16(20)21)27(23,24)25;;/h2,14H,1,3-13H2,(H,18,19)(H,20,21)(H,23,24,25);;/q;2*+1/p-2