(5-butyl-6-methoxy-6-methyl-decan-5-yl)phosphanium benzoate

Systemtic Name: (5-butyl-6-methoxy-6-methyl-decan-5-yl)phosphanium benzoate Openeye Name: (1,1-dibutyl-2-methoxy-2-methyl-hexyl)phosphonium benzoate CAS Name: (5-butyl-6-methoxy-6-methyldecan-5-yl)phosphonium benzoate IUPAC Name: (5-butyl-6-methoxy-6-methyldecan-5-yl)phosphanium benzoate Traditional Name: (1,1-dibutyl-2-methoxy-2-methyl-hexyl)phosphonium benzoate Formula: C23H41O3P MolecularWeight: 396.543601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H35OP.C7H6O2/c1-6-9-12-15(4,17-5)16(18,13-10-7-2)14-11-8-3;8-7(9)6-4-2-1-3-5-6/h6-14,18H2,1-5H3;1-5H,(H,8,9)