disodium 4-[2-[2-hydroxyethyl-[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-[2-[2-hydroxyethyl-[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[2-[2-hydroxyethyl-[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-[2-[2-hydroxyethyl-[(Z)-1-oxooctadec-9-enyl]amino]ethoxy]-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-[2-[2-hydroxyethyl-[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-[2-[2-hydroxyethyl-[(Z)-octadec-9-enoyl]amino]ethoxy]-4-keto-2-sulfonato-butyrate Formula: C26H45NNa2O9S MolecularWeight: 593.68134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(18-20-28)19-21-36-25(30)22-23(26(31)32)37(33,34)35;;/h9-10,23,28H,2-8,11-22H2,1H3,(H,31,32)(H,33,34,35);;/q;2*+1/p-2/b10-9-;;