2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]-3-phosphonooxy-propanoic acid

Systemtic Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]-3-phosphonooxy-propanoic acid Openeye Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]-3-phosphonooxy-propanoic acid CAS Name: 2-[[(9E,12E,15E)-1-oxooctadeca-9,12,15-trienyl]amino]-3-phosphonooxypropanoic acid IUPAC Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]-3-phosphonooxypropanoic acid Traditional Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]-3-phosphonooxy-propionic acid Formula: C21H36NO7P MolecularWeight: 445.486801

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)NC(COP(=O)(O)O)C(=O)O

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NC(COP(=O)(O)O)C(=O)O

InChI

InChI=1S/C21H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19(21(24)25)18-29-30(26,27)28/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3,(H,22,23)(H,24,25)(H2,26,27,28)/b4-3+,7-6+,10-9+