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

Systemtic Name: [2-azanyl-2-methyl-4-[4-(4-phenoxybut-1-ynylsulfanyl)phenyl]butyl] dihydrogen phosphate Openeye Name: [2-amino-2-methyl-4-[4-(4-phenoxybut-1-ynylsulfanyl)phenyl]butyl] dihydrogen phosphate CAS Name: [2-amino-2-methyl-4-[4-(4-phenoxybut-1-ynylthio)phenyl]butyl] dihydrogen phosphate IUPAC Name: [2-amino-2-methyl-4-[4-(4-phenoxybut-1-ynylsulfanyl)phenyl]butyl] dihydrogen phosphate Traditional Name: [2-amino-2-methyl-4-[4-(4-phenoxybut-1-ynylthio)phenyl]butyl] dihydrogen phosphate Formula: C21H26NO5PS MolecularWeight: 435.473601

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)SC#CCCOC2=CC=CC=C2)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(C=C1)SC#CCCOC2=CC=CC=C2)(COP(=O)(O)O)N

InChI

InChI=1S/C21H26NO5PS/c1-21(22,17-27-28(23,24)25)14-13-18-9-11-20(12-10-18)29-16-6-5-15-26-19-7-3-2-4-8-19/h2-4,7-12H,5,13-15,17,22H2,1H3,(H2,23,24,25)