7-tert-butyl-3-methyl-pyrene-1-carbaldehyde

Systemtic Name: 7-tert-butyl-3-methyl-pyrene-1-carbaldehyde Openeye Name: 7-tert-butyl-3-methyl-pyrene-1-carbaldehyde CAS Name: 7-tert-butyl-3-methyl-1-pyrenecarboxaldehyde IUPAC Name: 7-tert-butyl-3-methylpyrene-1-carbaldehyde Traditional Name: 7-tert-butyl-3-methyl-pyrene-1-carbaldehyde Formula: C22H20O MolecularWeight: 300.3936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=C4C2=C(C=CC4=CC(=C3)C(C)(C)C)C(=C1)C=O

Isomeric SMILES

CC1=C2C=CC3=C4C2=C(C=CC4=CC(=C3)C(C)(C)C)C(=C1)C=O

InChI

InChI=1S/C22H20O/c1-13-9-16(12-23)19-8-6-15-11-17(22(2,3)4)10-14-5-7-18(13)21(19)20(14)15/h5-12H,1-4H3