[(E)-octadec-9-enyl]phosphonic acid; octan-1-amine

Systemtic Name: [(E)-octadec-9-enyl]phosphonic acid; octan-1-amine Openeye Name: [(E)-octadec-9-enyl]phosphonic acid; octan-1-amine CAS Name: [(E)-octadec-9-enyl]phosphonic acid; 1-octanamine IUPAC Name: [(E)-octadec-9-enyl]phosphonic acid; octan-1-amine Traditional Name: [(E)-octadec-9-enyl]phosphonic acid; octylamine Formula: C44H93NO6P2 MolecularWeight: 794.159842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCP(=O)(O)O.CCCCCCCCC=CCCCCCCCCP(=O)(O)O.CCCCCCCCN

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCP(=O)(O)O.CCCCCCCC/C=C/CCCCCCCCP(=O)(O)O.CCCCCCCCN

InChI

InChI=1S/2C18H37O3P.C8H19N/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;1-2-3-4-5-6-7-8-9/h2*9-10H,2-8,11-18H2,1H3,(H2,19,20,21);2-9H2,1H3/b2*10-9+;