[1-(6-oxidanyl-6-oxidanylidene-hexyl)triphenylen-2-yl]phosphanium bromide

Systemtic Name: [1-(6-oxidanyl-6-oxidanylidene-hexyl)triphenylen-2-yl]phosphanium bromide Openeye Name: [1-(6-hydroxy-6-oxo-hexyl)triphenylen-2-yl]phosphonium bromide CAS Name: [1-(6-hydroxy-6-oxohexyl)-2-triphenylenyl]phosphonium bromide IUPAC Name: [1-(6-hydroxy-6-oxohexyl)triphenylen-2-yl]phosphanium bromide Traditional Name: [1-(6-hydroxy-6-keto-hexyl)triphenylen-2-yl]phosphonium bromide Formula: C24H24BrO2P MolecularWeight: 455.323921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C24)C(=C(C=C3)[PH3+])CCCCCC(=O)O.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C24)C(=C(C=C3)[PH3+])CCCCCC(=O)O.[Br-]

InChI

InChI=1S/C24H23O2P.BrH/c25-23(26)13-3-1-2-12-21-22(27)15-14-20-18-10-5-4-8-16(18)17-9-6-7-11-19(17)24(20)21;/h4-11,14-15H,1-3,12-13,27H2,(H,25,26);1H