[5-butyl-6-(4-phenylbutoxycarbonyl)decan-5-yl]phosphanium bromide

Systemtic Name: [5-butyl-6-(4-phenylbutoxycarbonyl)decan-5-yl]phosphanium bromide Openeye Name: [1,1-dibutyl-2-(4-phenylbutoxycarbonyl)hexyl]phosphonium bromide CAS Name: [5-butyl-6-[oxo(4-phenylbutoxy)methyl]decan-5-yl]phosphonium bromide IUPAC Name: [5-butyl-6-(4-phenylbutoxycarbonyl)decan-5-yl]phosphanium bromide Traditional Name: [1,1-dibutyl-2-(4-phenylbutoxycarbonyl)hexyl]phosphonium bromide Formula: C25H44BrO2P MolecularWeight: 487.493421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCCCCC1=CC=CC=C1)C(CCCC)(CCCC)[PH3+].[Br-]

Isomeric SMILES

CCCCC(C(=O)OCCCCC1=CC=CC=C1)C(CCCC)(CCCC)[PH3+].[Br-]

InChI

InChI=1S/C25H43O2P.BrH/c1-4-7-18-23(25(28,19-8-5-2)20-9-6-3)24(26)27-21-14-13-17-22-15-11-10-12-16-22;/h10-12,15-16,23H,4-9,13-14,17-21,28H2,1-3H3;1H