4-[1-[[(Z)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-[1-[[(Z)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-[1-methyl-2-[[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-oxo-4-[1-[[(Z)-1-oxooctadec-9-enyl]amino]propan-2-yloxy]-2-sulfobutanoic acid IUPAC Name: 4-[1-[[(Z)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-keto-4-[1-methyl-2-[[(Z)-octadec-9-enoyl]amino]ethoxy]-2-sulfo-butyric acid Formula: C25H45NO8S MolecularWeight: 519.6917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCC(C)OC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C25H45NO8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-24(28)19-22(25(29)30)35(31,32)33/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,29,30)(H,31,32,33)/b11-10-