[3-[[(Z)-octadec-9-enoyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[[(Z)-octadec-9-enoyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[[(Z)-octadec-9-enoyl]amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[[(Z)-1-oxooctadec-9-enyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[[(Z)-octadec-9-enoyl]amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[[(Z)-octadec-9-enoyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C21H43NO8P2 MolecularWeight: 499.515542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C21H43NO8P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21(24,31(25,26)27)32(28,29)30/h9-10,24H,2-8,11-19H2,1H3,(H,22,23)(H2,25,26,27)(H2,28,29,30)/b10-9-