[(Z)-2-(1,9-dihydropyren-1-yl)-1-phenylsulfanyl-ethenyl] dihydrogen phosphate

Systemtic Name: [(Z)-2-(1,9-dihydropyren-1-yl)-1-phenylsulfanyl-ethenyl] dihydrogen phosphate Openeye Name: [(Z)-2-(1,9-dihydropyren-1-yl)-1-phenylsulfanyl-vinyl] dihydrogen phosphate CAS Name: [(Z)-2-(1,9-dihydropyren-1-yl)-1-(phenylthio)ethenyl] dihydrogen phosphate IUPAC Name: [(Z)-2-(1,9-dihydropyren-1-yl)-1-phenylsulfanylethenyl] dihydrogen phosphate Traditional Name: [(Z)-2-(1,9-dihydropyren-1-yl)-1-(phenylthio)vinyl] dihydrogen phosphate Formula: C24H19O4PS MolecularWeight: 434.444021

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(C=CC3=C2C4=C(C=CC=C41)C=C3)C=C(OP(=O)(O)O)SC5=CC=CC=C5

Isomeric SMILES

C1C=C2C(C=CC3=C2C4=C(C=CC=C41)C=C3)/C=C(/OP(=O)(O)O)\SC5=CC=CC=C5

InChI

InChI=1S/C24H19O4PS/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/h1-12,14-15,19H,13H2,(H2,25,26,27)/b22-15-