1,6-diethyl-3H-phosphinin-1-ium-4-one; 3H-phosphinin-4-one

Systemtic Name: 1,6-diethyl-3H-phosphinin-1-ium-4-one; 3H-phosphinin-4-one Openeye Name: 1,6-diethyl-3H-phosphinin-1-ium-4-one; 3H-phosphinin-4-one CAS Name: 1,6-diethyl-3H-phosphorin-1-ium-4-one; 3H-phosphorin-4-one IUPAC Name: 1,6-diethyl-3H-phosphinin-1-ium-4-one; 3H-phosphinin-4-one Traditional Name: 1,6-diethyl-3H-phosphorin-1-ium-4-one; 3H-phosphorin-4-one Formula: C94H99O18P18+ MolecularWeight: 2074.308758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)CC=[P+]1CC.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.C1C=PC=CC1=O.C1C=PC=CC1=O

Isomeric SMILES

CCC1=CC(=O)CC=[P+]1CC.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.C1C=PC=CC1=O.C1C=PC=CC1=O

InChI

InChI=1S/C9H14OP.17C5H5OP/c1-3-9-7-8(10)5-6-11(9)4-2;17*6-5-1-3-7-4-2-5/h6-7H,3-5H2,1-2H3;17*1,3-4H,2H2/q+1;;;;;;;;;;;;;;;;;