3,3,5,5-tetramethyl-8-(3-methylbutyl)-2,6-dihydro-s-indacene-1,7-dione

Systemtic Name: 3,3,5,5-tetramethyl-8-(3-methylbutyl)-2,6-dihydro-s-indacene-1,7-dione Openeye Name: 8-isopentyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-1,7-dione CAS Name: 3,3,5,5-tetramethyl-8-(3-methylbutyl)-2,6-dihydro-s-indacene-1,7-dione IUPAC Name: 3,3,5,5-tetramethyl-8-(3-methylbutyl)-2,6-dihydro-s-indacene-1,7-dione Traditional Name: 8-isoamyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-1,7-quinone Formula: C21H28O2 MolecularWeight: 312.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C2C(=O)CC(C2=CC3=C1C(=O)CC3(C)C)(C)C

Isomeric SMILES

CC(C)CCC1=C2C(=O)CC(C2=CC3=C1C(=O)CC3(C)C)(C)C

InChI

InChI=1S/C21H28O2/c1-12(2)7-8-13-18-14(20(3,4)10-16(18)22)9-15-19(13)17(23)11-21(15,5)6/h9,12H,7-8,10-11H2,1-6H3