3H-phosphinin-4-one; 2,3,5,6-tetraethyl-1-(3-ethylhexan-3-yl)-3H-phosphinin-1-ium-4-one

Systemtic Name: 3H-phosphinin-4-one; 2,3,5,6-tetraethyl-1-(3-ethylhexan-3-yl)-3H-phosphinin-1-ium-4-one Openeye Name: 1-(1,1-diethylbutyl)-2,3,5,6-tetraethyl-3H-phosphinin-1-ium-4-one; 3H-phosphinin-4-one CAS Name: 3H-phosphorin-4-one; 2,3,5,6-tetraethyl-1-(3-ethylhexan-3-yl)-3H-phosphorin-1-ium-4-one IUPAC Name: 3H-phosphinin-4-one; 2,3,5,6-tetraethyl-1-(3-ethylhexan-3-yl)-3H-phosphinin-1-ium-4-one Traditional Name: 1-(1,1-diethylbutyl)-2,3,5,6-tetraethyl-3H-phosphorin-1-ium-4-one; 3H-phosphorin-4-one Formula: C96H113O16P16+ MolecularWeight: 2018.494996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)(CC)[P+]1=C(C(C(=O)C(=C1CC)CC)CC)CC.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O

Isomeric SMILES

CCCC(CC)(CC)[P+]1=C(C(C(=O)C(=C1CC)CC)CC)CC.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O.C1C=PC=CC1=O

InChI

InChI=1S/C21H38OP.15C5H5OP/c1-8-15-21(13-6,14-7)23-18(11-4)16(9-2)20(22)17(10-3)19(23)12-5;15*6-5-1-3-7-4-2-5/h16H,8-15H2,1-7H3;15*1,3-4H,2H2/q+1;;;;;;;;;;;;;;;