2-ethyl-6-methoxy-oxepane; (2-methylphenyl)methyl-triphenyl-phosphanium; bromide

Systemtic Name: 2-ethyl-6-methoxy-oxepane; (2-methylphenyl)methyl-triphenyl-phosphanium; bromide Openeye Name: 2-ethyl-6-methoxy-oxepane; o-tolylmethyl(triphenyl)phosphonium; bromide CAS Name: 2-ethyl-6-methoxyoxepane; (2-methylphenyl)methyl-triphenylphosphonium; bromide IUPAC Name: 2-ethyl-6-methoxyoxepane; (2-methylphenyl)methyl-triphenylphosphanium; bromide Traditional Name: 2-ethyl-6-methoxy-oxepane; (2-methylbenzyl)-triphenyl-phosphonium; bromide Formula: C35H42BrO2P MolecularWeight: 605.584541

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC(CO1)OC.CC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCC1CCCC(CO1)OC.CC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H24P.C9H18O2.BrH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;1-3-8-5-4-6-9(10-2)7-11-8;/h2-20H,21H2,1H3;8-9H,3-7H2,1-2H3;1H/q+1;;/p-1