methyl (E)-oct-5-enoate; triphenylphosphanium; bromide

Systemtic Name: methyl (E)-oct-5-enoate; triphenylphosphanium; bromide Openeye Name: methyl (E)-oct-5-enoate; triphenylphosphonium; bromide CAS Name: (E)-5-octenoic acid methyl ester; triphenylphosphonium; bromide IUPAC Name: methyl (E)-oct-5-enoate; triphenylphosphanium; bromide Traditional Name: (E)-oct-5-enoic acid methyl ester; triphenylphosphonium; bromide Formula: C27H32BrO2P MolecularWeight: 499.419541

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCC(=O)OC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC/C=C/CCCC(=O)OC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H15P.C9H16O2.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-5-6-7-8-9(10)11-2;/h1-15H;4-5H,3,6-8H2,1-2H3;1H/b;5-4+;