[2-methoxy-4-(4-phenylbutoxy)phenyl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [2-methoxy-4-(4-phenylbutoxy)phenyl]methyl-triphenyl-phosphanium chloride Openeye Name: [2-methoxy-4-(4-phenylbutoxy)phenyl]methyl-triphenyl-phosphonium chloride CAS Name: [2-methoxy-4-(4-phenylbutoxy)phenyl]methyl-triphenylphosphonium chloride IUPAC Name: [2-methoxy-4-(4-phenylbutoxy)phenyl]methyl-triphenylphosphanium chloride Traditional Name: [2-methoxy-4-(4-phenylbutoxy)benzyl]-triphenyl-phosphonium chloride Formula: C36H36ClO2P MolecularWeight: 567.096601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCCCCC2=CC=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)OCCCCC2=CC=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C36H36O2P.ClH/c1-37-36-28-32(38-27-15-14-18-30-16-6-2-7-17-30)26-25-31(36)29-39(33-19-8-3-9-20-33,34-21-10-4-11-22-34)35-23-12-5-13-24-35;/h2-13,16-17,19-26,28H,14-15,18,27,29H2,1H3;1H/q+1;/p-1