[2-(1-adamantyl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl]-triphenyl-phosphonium bromide CAS Name: [2-(1-adamantyl)-2-oxoethyl]-triphenylphosphonium bromide IUPAC Name: [2-(1-adamantyl)-2-oxoethyl]-triphenylphosphanium bromide Traditional Name: [2-(1-adamantyl)-2-keto-ethyl]-triphenyl-phosphonium bromide Formula: C30H32BrOP MolecularWeight: 519.452241

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C30H32OP.BrH/c31-29(30-19-23-16-24(20-30)18-25(17-23)21-30)22-32(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28;/h1-15,23-25H,16-22H2;1H/q+1;/p-1