[(Z)-1-phenylsulfanyl-2-pyren-1-yl-ethenyl] dihydrogen phosphate

Systemtic Name: [(Z)-1-phenylsulfanyl-2-pyren-1-yl-ethenyl] dihydrogen phosphate Openeye Name: [(Z)-1-phenylsulfanyl-2-pyren-1-yl-vinyl] dihydrogen phosphate CAS Name: [(Z)-1-(phenylthio)-2-(1-pyrenyl)ethenyl] dihydrogen phosphate IUPAC Name: [(Z)-1-phenylsulfanyl-2-pyren-1-ylethenyl] dihydrogen phosphate Traditional Name: [(Z)-1-(phenylthio)-2-pyren-1-yl-vinyl] dihydrogen phosphate Formula: C24H17O4PS MolecularWeight: 432.428141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)OP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)S/C(=C\C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)/OP(=O)(O)O

InChI

InChI=1S/C24H17O4PS/c25-29(26,27)28-22(30-20-7-2-1-3-8-20)15-19-12-11-18-10-9-16-5-4-6-17-13-14-21(19)24(18)23(16)17/h1-15H,(H2,25,26,27)/b22-15-