[(10S,11S)-10-acetyloxy-11-methyl-tridec-12-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(10S,11S)-10-acetyloxy-11-methyl-tridec-12-enyl]-triphenyl-phosphanium bromide Openeye Name: [(10S,11S)-10-acetoxy-11-methyl-tridec-12-enyl]-triphenyl-phosphonium bromide CAS Name: [(10S,11S)-10-acetyloxy-11-methyltridec-12-enyl]-triphenylphosphonium bromide IUPAC Name: [(10S,11S)-10-acetyloxy-11-methyltridec-12-enyl]-triphenylphosphanium bromide Traditional Name: [(10S,11S)-10-acetoxy-11-methyl-tridec-12-enyl]-triphenyl-phosphonium bromide Formula: C34H44BrO2P MolecularWeight: 595.589721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(CCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C.[Br-]

Isomeric SMILES

C[C@@H](C=C)[C@H](CCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C.[Br-]

InChI

InChI=1S/C34H44O2P.BrH/c1-4-29(2)34(36-30(3)35)27-19-8-6-5-7-9-20-28-37(31-21-13-10-14-22-31,32-23-15-11-16-24-32)33-25-17-12-18-26-33;/h4,10-18,21-26,29,34H,1,5-9,19-20,27-28H2,2-3H3;1H/q+1;/p-1/t29-,34-;/m0./s1