[4-[(E)-3-(1-adamantyl)-3-oxidanylidene-prop-1-enyl]phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-[(E)-3-(1-adamantyl)-3-oxidanylidene-prop-1-enyl]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-[(E)-3-(1-adamantyl)-3-oxo-prop-1-enyl]phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-[(E)-3-(1-adamantyl)-3-oxoprop-1-enyl]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-[(E)-3-(1-adamantyl)-3-oxoprop-1-enyl]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-[(E)-3-(1-adamantyl)-3-keto-prop-1-enyl]benzyl]-triphenyl-phosphonium bromide Formula: C38H38BrOP MolecularWeight: 621.585481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C=CC4=CC=C(C=C4)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)/C=C/C4=CC=C(C=C4)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]

InChI

InChI=1S/C38H38OP.BrH/c39-37(38-25-31-22-32(26-38)24-33(23-31)27-38)21-20-29-16-18-30(19-17-29)28-40(34-10-4-1-5-11-34,35-12-6-2-7-13-35)36-14-8-3-9-15-36;/h1-21,31-33H,22-28H2;1H/q+1;/p-1/b21-20+;