4-(1-bromoethyl)benzoic acid; triphenylphosphanium

Systemtic Name: 4-(1-bromoethyl)benzoic acid; triphenylphosphanium Openeye Name: 4-(1-bromoethyl)benzoic acid; triphenylphosphonium CAS Name: 4-(1-bromoethyl)benzoic acid; triphenylphosphonium IUPAC Name: 4-(1-bromoethyl)benzoic acid; triphenylphosphanium Traditional Name: 4-(1-bromoethyl)benzoic acid; triphenylphosphonium Formula: C27H25BrO2P+ MolecularWeight: 492.363961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)Br.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)Br.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15P.C9H9BrO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6(10)7-2-4-8(5-3-7)9(11)12/h1-15H;2-6H,1H3,(H,11,12)/p+1