2-azanyl-2-(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-3-oxidanylidene-propanoate

Systemtic Name: 2-azanyl-2-(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-3-oxidanylidene-propanoate Openeye Name: 2-amino-2-(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-3-oxo-propanoate CAS Name: 2-amino-2-(hydroxymethyl)-3-oxo-3-[(E)-1-oxooctadec-9-enoxy]propanoate IUPAC Name: 2-amino-2-(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-3-oxopropanoate Traditional Name: 2-amino-3-keto-2-methylol-3-[(E)-octadec-9-enoyl]oxy-propionate Formula: C22H38NO6- MolecularWeight: 412.54022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)C(CO)(C(=O)[O-])N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)C(CO)(C(=O)[O-])N

InChI

InChI=1S/C22H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(25)29-21(28)22(23,18-24)20(26)27/h9-10,24H,2-8,11-18,23H2,1H3,(H,26,27)/p-1/b10-9+