azane; cyclododecane; 4-methylisoindole-1,3-dione

Systemtic Name: azane; cyclododecane; 4-methylisoindole-1,3-dione Openeye Name: ammonia; cyclododecane; 4-methylisoindoline-1,3-dione CAS Name: ammonia; cyclododecane; 4-methylisoindole-1,3-dione IUPAC Name: azane; cyclododecane; 4-methylisoindole-1,3-dione Traditional Name: ammonia; cyclododecane; 4-methylisoindoline-1,3-quinone Formula: C21H34N2O2 MolecularWeight: 346.50686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)NC2=O.C1CCCCCCCCCCC1.N

Isomeric SMILES

CC1=CC=CC2=C1C(=O)NC2=O.C1CCCCCCCCCCC1.N

InChI

InChI=1S/C12H24.C9H7NO2.H3N/c1-2-4-6-8-10-12-11-9-7-5-3-1;1-5-3-2-4-6-7(5)9(12)10-8(6)11;/h1-12H2;2-4H,1H3,(H,10,11,12);1H3