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

Systemtic Name: 2-dimethylaminoethyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate Openeye Name: 2-dimethylaminoethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate CAS Name: 2-dimethylaminoethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate IUPAC Name: 2-dimethylaminoethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate Traditional Name: 2-dimethylaminoethyl [4-keto-2-(3-tridecoxybenzyl)heptyl] 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)OCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H56NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-22-36-31-20-17-19-28(26-31)24-29(25-30(33)18-6-2)27-38-39(34,35)37-23-21-32(3)4/h17,19-20,26,29H,5-16,18,21-25,27H2,1-4H3,(H,34,35)