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

Systemtic Name: (3-chloranyl-4-ethoxycarbonyl-phenyl)methyl-triphenyl-phosphanium Openeye Name: (3-chloro-4-ethoxycarbonyl-phenyl)methyl-triphenyl-phosphonium CAS Name: (3-chloro-4-ethoxycarbonylphenyl)methyl-triphenylphosphonium IUPAC Name: (3-chloro-4-ethoxycarbonylphenyl)methyl-triphenylphosphanium Traditional Name: (4-carbethoxy-3-chloro-benzyl)-triphenyl-phosphonium Formula: C28H25ClO2P+ MolecularWeight: 459.923661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C28H25ClO2P/c1-2-31-28(30)26-19-18-22(20-27(26)29)21-32(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20H,2,21H2,1H3/q+1