methyl 3-(bromomethyl)-4-oxidanyl-benzoate; triphenylphosphanium

Systemtic Name: methyl 3-(bromomethyl)-4-oxidanyl-benzoate; triphenylphosphanium Openeye Name: methyl 3-(bromomethyl)-4-hydroxy-benzoate; triphenylphosphonium CAS Name: 3-(bromomethyl)-4-hydroxybenzoic acid methyl ester; triphenylphosphonium IUPAC Name: methyl 3-(bromomethyl)-4-hydroxybenzoate; triphenylphosphanium Traditional Name: 3-(bromomethyl)-4-hydroxy-benzoic acid methyl ester; triphenylphosphonium Formula: C27H25BrO3P+ MolecularWeight: 508.363361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15P.C9H9BrO3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13-9(12)6-2-3-8(11)7(4-6)5-10/h1-15H;2-4,11H,5H2,1H3/p+1