2-[[(E)-octadec-9-enyl]-phosphono-amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[(E)-octadec-9-enyl]-phosphono-amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[(E)-octadec-9-enyl]-phosphono-amino]propanoic acid CAS Name: 3-hydroxy-2-[[(E)-octadec-9-enyl]-phosphonoamino]propanoic acid IUPAC Name: 3-hydroxy-2-[[(E)-octadec-9-enyl]-phosphonoamino]propanoic acid Traditional Name: 3-hydroxy-2-[[(E)-octadec-9-enyl]-phosphono-amino]propionic acid Formula: C21H42NO6P MolecularWeight: 435.535041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(C(CO)C(=O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(C(CO)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C21H42NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(29(26,27)28)20(19-23)21(24)25/h9-10,20,23H,2-8,11-19H2,1H3,(H,24,25)(H2,26,27,28)/b10-9+