3-(methylamino)propyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate

Systemtic Name: 3-(methylamino)propyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate Openeye Name: 3-(methylamino)propyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate CAS Name: 3-(methylamino)propyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate IUPAC Name: 3-(methylamino)propyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate Traditional Name: [4-keto-2-(3-tridecoxybenzyl)heptyl] 3-(methylamino)propyl hydrogen phosphate Formula: C31H56NO6P MolecularWeight: 569.753201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)CCC)COP(=O)(O)OCCCNC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)CCC)COP(=O)(O)OCCCNC

InChI

InChI=1S/C31H56NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-22-36-31-20-16-19-28(26-31)24-29(25-30(33)18-5-2)27-38-39(34,35)37-23-17-21-32-3/h16,19-20,26,29,32H,4-15,17-18,21-25,27H2,1-3H3,(H,34,35)