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

Systemtic Name: 4-(methylamino)butyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate Openeye Name: 4-(methylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate CAS Name: 4-(methylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate IUPAC Name: 4-(methylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate Traditional Name: [4-keto-2-(3-tridecoxybenzyl)heptyl] 4-(methylamino)butyl hydrogen phosphate Formula: C32H58NO6P MolecularWeight: 583.779781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H58NO6P/c1-4-6-7-8-9-10-11-12-13-14-16-23-37-32-21-18-20-29(27-32)25-30(26-31(34)19-5-2)28-39-40(35,36)38-24-17-15-22-33-3/h18,20-21,27,30,33H,4-17,19,22-26,28H2,1-3H3,(H,35,36)