5-[2,12-dimethyl-7-oxidanylidene-12-(3-oxidanylidene-1,2-oxazol-5-yl)tridecan-2-yl]-1,2-oxazol-3-one

Systemtic Name: 5-[2,12-dimethyl-7-oxidanylidene-12-(3-oxidanylidene-1,2-oxazol-5-yl)tridecan-2-yl]-1,2-oxazol-3-one Openeye Name: 5-[1,1,11-trimethyl-6-oxo-11-(3-oxoisoxazol-5-yl)dodecyl]isoxazol-3-one CAS Name: 5-[2,12-dimethyl-7-oxo-12-(3-oxo-5-isoxazolyl)tridecan-2-yl]-3-isoxazolone IUPAC Name: 5-[2,12-dimethyl-7-oxo-12-(3-oxo-1,2-oxazol-5-yl)tridecan-2-yl]-1,2-oxazol-3-one Traditional Name: 5-[6-keto-11-(3-keto-4-isoxazolin-5-yl)-1,1,11-trimethyl-dodecyl]-4-isoxazolin-3-one Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC(=O)CCCCC(C)(C)C1=CC(=O)NO1)C2=CC(=O)NO2

Isomeric SMILES

CC(C)(CCCCC(=O)CCCCC(C)(C)C1=CC(=O)NO1)C2=CC(=O)NO2

InChI

InChI=1S/C21H32N2O5/c1-20(2,16-13-18(25)22-27-16)11-7-5-9-15(24)10-6-8-12-21(3,4)17-14-19(26)23-28-17/h13-14H,5-12H2,1-4H3,(H,22,25)(H,23,26)