(3-chloranyl-4-methoxycarbonyl-phenyl)methyl-triphenyl-phosphanium

Systemtic Name: (3-chloranyl-4-methoxycarbonyl-phenyl)methyl-triphenyl-phosphanium Openeye Name: (3-chloro-4-methoxycarbonyl-phenyl)methyl-triphenyl-phosphonium CAS Name: (3-chloro-4-methoxycarbonylphenyl)methyl-triphenylphosphonium IUPAC Name: (3-chloro-4-methoxycarbonylphenyl)methyl-triphenylphosphanium Traditional Name: (4-carbomethoxy-3-chloro-benzyl)-triphenyl-phosphonium Formula: C27H23ClO2P+ MolecularWeight: 445.897081

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H23ClO2P/c1-30-27(29)25-18-17-21(19-26(25)28)20-31(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19H,20H2,1H3/q+1