4-[5-(1,2-dithiolan-3-yl)pentanoyloxy]butyl-triphenyl-phosphanium bromide

Systemtic Name: 4-[5-(1,2-dithiolan-3-yl)pentanoyloxy]butyl-triphenyl-phosphanium bromide Openeye Name: 4-[5-(dithiolan-3-yl)pentanoyloxy]butyl-triphenyl-phosphonium bromide CAS Name: 4-[5-(3-dithiolanyl)-1-oxopentoxy]butyl-triphenylphosphonium bromide IUPAC Name: 4-[5-(dithiolan-3-yl)pentanoyloxy]butyl-triphenylphosphanium bromide Traditional Name: 4-[5-(dithiolan-3-yl)pentanoyloxy]butyl-triphenyl-phosphonium bromide Formula: C30H36BrO2PS2 MolecularWeight: 603.613401

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1CSSC1CCCCC(=O)OCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C30H36O2PS2.BrH/c31-30(21-11-10-20-29-22-25-34-35-29)32-23-12-13-24-33(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28;/h1-9,14-19,29H,10-13,20-25H2;1H/q+1;/p-1