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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCCOCCOC(=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(28)27-18-19-35-20-21-36-25(29)22-23(26(30)31)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/b10-9+;;