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

Systemtic Name: methyl 4-(bromomethyl)-3-methoxy-benzoate; triphenylphosphanium Openeye Name: methyl 4-(bromomethyl)-3-methoxy-benzoate; triphenylphosphonium CAS Name: 4-(bromomethyl)-3-methoxybenzoic acid methyl ester; triphenylphosphonium IUPAC Name: methyl 4-(bromomethyl)-3-methoxybenzoate; triphenylphosphanium Traditional Name: 4-(bromomethyl)-3-methoxy-benzoic acid methyl ester; triphenylphosphonium Formula: C28H27BrO3P+ MolecularWeight: 522.389941

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CBr.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CBr.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15P.C10H11BrO3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13-9-5-7(10(12)14-2)3-4-8(9)6-11/h1-15H;3-5H,6H2,1-2H3/p+1