5-[5,5-dimethyl-3,6-bis(oxidanylidene)heptan-2-yl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde

Systemtic Name: 5-[5,5-dimethyl-3,6-bis(oxidanylidene)heptan-2-yl]-3,4-dimethyl-1H-pyrrole-2-carbaldehyde Openeye Name: 3,4-dimethyl-5-(1,4,4-trimethyl-2,5-dioxo-hexyl)-1H-pyrrole-2-carbaldehyde CAS Name: 5-(5,5-dimethyl-3,6-dioxoheptan-2-yl)-3,4-dimethyl-1H-pyrrole-2-carboxaldehyde IUPAC Name: 5-(5,5-dimethyl-3,6-dioxoheptan-2-yl)-3,4-dimethyl-1H-pyrrole-2-carbaldehyde Traditional Name: 5-(2,5-diketo-1,4,4-trimethyl-hexyl)-3,4-dimethyl-1H-pyrrole-2-carbaldehyde Formula: C16H23NO3 MolecularWeight: 277.35872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(C)C(=O)CC(C)(C)C(=O)C)C=O

Isomeric SMILES

CC1=C(NC(=C1C)C(C)C(=O)CC(C)(C)C(=O)C)C=O

InChI

InChI=1S/C16H23NO3/c1-9-10(2)15(17-13(9)8-18)11(3)14(20)7-16(5,6)12(4)19/h8,11,17H,7H2,1-6H3