[(E)-docos-13-enyl]-bis(3-methylheptan-4-yl)-phosphono-azanium

Systemtic Name: [(E)-docos-13-enyl]-bis(3-methylheptan-4-yl)-phosphono-azanium Openeye Name: [(E)-docos-13-enyl]-bis(2-methyl-1-propyl-butyl)-phosphono-ammonium CAS Name: [(E)-docos-13-enyl]-bis(3-methylheptan-4-yl)-phosphonoammonium IUPAC Name: [(E)-docos-13-enyl]-bis(3-methylheptan-4-yl)-phosphonoazanium Traditional Name: [(E)-docos-13-enyl]-bis(2-methyl-1-propyl-butyl)-phosphono-ammonium Formula: C38H79NO3P+ MolecularWeight: 629.012521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC[N+](C(CCC)C(C)CC)(C(CCC)C(C)CC)P(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC[N+](C(CCC)C(C)CC)(C(CCC)C(C)CC)P(=O)(O)O

InChI

InChI=1S/C38H78NO3P/c1-8-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-34-39(43(40,41)42,37(32-9-2)35(6)11-4)38(33-10-3)36(7)12-5/h19-20,35-38H,8-18,21-34H2,1-7H3,(H-,40,41,42)/p+1/b20-19+