4-cyclopropylcarbonyl-3,5-bis(oxidanylidene)cyclohexane-1-carboxylic acid; tributylazanium

Systemtic Name: 4-cyclopropylcarbonyl-3,5-bis(oxidanylidene)cyclohexane-1-carboxylic acid; tributylazanium Openeye Name: 4-(cyclopropanecarbonyl)-3,5-dioxo-cyclohexanecarboxylic acid; tributylammonium CAS Name: 4-[cyclopropyl(oxo)methyl]-3,5-dioxo-1-cyclohexanecarboxylic acid; tributylammonium IUPAC Name: 4-(cyclopropanecarbonyl)-3,5-dioxocyclohexane-1-carboxylic acid; tributylazanium Traditional Name: 4-(cyclopropanecarbonyl)-3,5-diketo-cyclohexanecarboxylic acid; tributylammonium Formula: C23H40NO5+ MolecularWeight: 410.5674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.C1CC1C(=O)C2C(=O)CC(CC2=O)C(=O)O

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.C1CC1C(=O)C2C(=O)CC(CC2=O)C(=O)O

InChI

InChI=1S/C12H27N.C11H12O5/c1-4-7-10-13(11-8-5-2)12-9-6-3;12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h4-12H2,1-3H3;5-6,9H,1-4H2,(H,15,16)/p+1