9-butyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-butyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-butyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-butyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-butyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-butyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C21H30O3 MolecularWeight: 330.4611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(CC(CC2=O)(C)C)OC3=C1C(=O)CC(C3)(C)C

Isomeric SMILES

CCCCC1C2=C(CC(CC2=O)(C)C)OC3=C1C(=O)CC(C3)(C)C

InChI

InChI=1S/C21H30O3/c1-6-7-8-13-18-14(22)9-20(2,3)11-16(18)24-17-12-21(4,5)10-15(23)19(13)17/h13H,6-12H2,1-5H3