[2-azanyl-4-[4-(5-cyclohexylpent-1-ynylsulfanyl)phenyl]-2-methyl-butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[4-(5-cyclohexylpent-1-ynylsulfanyl)phenyl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[4-(5-cyclohexylpent-1-ynylsulfanyl)phenyl]-2-methyl-butyl] dihydrogen phosphate CAS Name: [2-amino-4-[4-(5-cyclohexylpent-1-ynylthio)phenyl]-2-methylbutyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[4-(5-cyclohexylpent-1-ynylsulfanyl)phenyl]-2-methylbutyl] dihydrogen phosphate Traditional Name: [2-amino-4-[4-(5-cyclohexylpent-1-ynylthio)phenyl]-2-methyl-butyl] dihydrogen phosphate Formula: C22H34NO4PS MolecularWeight: 439.548421

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)SC#CCCCC2CCCCC2)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(C=C1)SC#CCCCC2CCCCC2)(COP(=O)(O)O)N

InChI

InChI=1S/C22H34NO4PS/c1-22(23,18-27-28(24,25)26)16-15-20-11-13-21(14-12-20)29-17-7-3-6-10-19-8-4-2-5-9-19/h11-14,19H,2-6,8-10,15-16,18,23H2,1H3,(H2,24,25,26)