[[diphosphonomethyl-[(E)-octadec-9-enyl]amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[diphosphonomethyl-[(E)-octadec-9-enyl]amino]-phosphono-methyl]phosphonic acid Openeye Name: [[diphosphonomethyl-[(E)-octadec-9-enyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[diphosphonomethyl-[(E)-octadec-9-enyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[diphosphonomethyl-[(E)-octadec-9-enyl]amino]-phosphonomethyl]phosphonic acid Traditional Name: [[diphosphonomethyl-[(E)-octadec-9-enyl]amino]-phosphono-methyl]phosphonic acid Formula: C20H45NO12P4 MolecularWeight: 615.465844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H45NO12P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19(34(22,23)24)35(25,26)27)20(36(28,29)30)37(31,32)33/h9-10,19-20H,2-8,11-18H2,1H3,(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/b10-9+