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

Systemtic Name: 3,3,6,6-tetramethyl-9-(4-octoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 3,3,6,6-tetramethyl-9-(4-octoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-(4-octoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 3,3,6,6-tetramethyl-9-(4-octoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 3,3,6,6-tetramethyl-9-(4-octoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C31H42O4 MolecularWeight: 478.66278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C

InChI

InChI=1S/C31H42O4/c1-6-7-8-9-10-11-16-34-22-14-12-21(13-15-22)27-28-23(32)17-30(2,3)19-25(28)35-26-20-31(4,5)18-24(33)29(26)27/h12-15,27H,6-11,16-20H2,1-5H3