[2-[(4-methylphenyl)methyl]-3-octadecylsulfanyl-propyl] dihydrogen phosphate

Systemtic Name: [2-[(4-methylphenyl)methyl]-3-octadecylsulfanyl-propyl] dihydrogen phosphate Openeye Name: [2-(octadecylsulfanylmethyl)-3-(p-tolyl)propyl] dihydrogen phosphate CAS Name: [2-[(4-methylphenyl)methyl]-3-(octadecylthio)propyl] dihydrogen phosphate IUPAC Name: [2-[(4-methylphenyl)methyl]-3-octadecylsulfanylpropyl] dihydrogen phosphate Traditional Name: [2-(4-methylbenzyl)-3-(stearylthio)propyl] dihydrogen phosphate Formula: C29H53O4PS MolecularWeight: 528.767481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(CC1=CC=C(C=C1)C)COP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(CC1=CC=C(C=C1)C)COP(=O)(O)O

InChI

InChI=1S/C29H53O4PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-35-26-29(25-33-34(30,31)32)24-28-21-19-27(2)20-22-28/h19-22,29H,3-18,23-26H2,1-2H3,(H2,30,31,32)