4-[1-[1-[[(E)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-[1-[1-[[(E)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-[1-[1-[[(E)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxo-3-sulfo-butanoic acid CAS Name: 4-oxo-4-[1-[1-[[(E)-1-oxooctadec-9-enyl]amino]ethoxy]ethoxy]-3-sulfobutanoic acid IUPAC Name: 4-[1-[1-[[(E)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxo-3-sulfobutanoic acid Traditional Name: 4-keto-4-[1-[1-[[(E)-octadec-9-enoyl]amino]ethoxy]ethoxy]-3-sulfo-butyric acid Formula: C26H47NO9S MolecularWeight: 549.71768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C)OC(C)OC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(C)OC(C)OC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H47NO9S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)27-21(2)35-22(3)36-26(31)23(20-25(29)30)37(32,33)34/h11-12,21-23H,4-10,13-20H2,1-3H3,(H,27,28)(H,29,30)(H,32,33,34)/b12-11+