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

Systemtic Name: 3,3,6,6-tetramethyl-9-(2-pentoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 3,3,6,6-tetramethyl-9-(2-pentoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-(2-pentoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 3,3,6,6-tetramethyl-9-(2-pentoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(2-amoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C28H36O4 MolecularWeight: 436.58304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C

InChI

InChI=1S/C28H36O4/c1-6-7-10-13-31-21-12-9-8-11-18(21)24-25-19(29)14-27(2,3)16-22(25)32-23-17-28(4,5)15-20(30)26(23)24/h8-9,11-12,24H,6-7,10,13-17H2,1-5H3