2-dimethylaminoethyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate

Systemtic Name: 2-dimethylaminoethyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate Openeye Name: 2-dimethylaminoethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate CAS Name: 2-dimethylaminoethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate IUPAC Name: 2-dimethylaminoethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate Traditional Name: 2-dimethylaminoethyl [4-keto-2-(3-tridecoxybenzyl)pentyl] hydrogen phosphate Formula: C29H52NO6P MolecularWeight: 541.700041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)C)COP(=O)(O)OCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)C)COP(=O)(O)OCCN(C)C

InChI

InChI=1S/C29H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-20-34-29-18-16-17-27(24-29)23-28(22-26(2)31)25-36-37(32,33)35-21-19-30(3)4/h16-18,24,28H,5-15,19-23,25H2,1-4H3,(H,32,33)