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

Systemtic Name: 3,3,6,6-tetramethyl-9-(3-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 3,3,6,6-tetramethyl-9-(3-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-(3-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 3,3,6,6-tetramethyl-9-(3-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 3,3,6,6-tetramethyl-9-(3-propargyloxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C26H28O4 MolecularWeight: 404.49812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=CC=C4)OCC#C)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=CC=C4)OCC#C)C(=O)C1)C

InChI

InChI=1S/C26H28O4/c1-6-10-29-17-9-7-8-16(11-17)22-23-18(27)12-25(2,3)14-20(23)30-21-15-26(4,5)13-19(28)24(21)22/h1,7-9,11,22H,10,12-15H2,2-5H3