9-(2-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(2-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(o-tolyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(2-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(2-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(o-tolyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C20H20O3 MolecularWeight: 308.371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

Isomeric SMILES

CC1=CC=CC=C1C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

InChI

InChI=1S/C20H20O3/c1-12-6-2-3-7-13(12)18-19-14(21)8-4-10-16(19)23-17-11-5-9-15(22)20(17)18/h2-3,6-7,18H,4-5,8-11H2,1H3