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

Systemtic Name: 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-propargyloxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C22H20O4 MolecularWeight: 348.3918

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

Isomeric SMILES

C#CCOC1=CC=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

InChI

InChI=1S/C22H20O4/c1-2-12-25-15-7-3-6-14(13-15)20-21-16(23)8-4-10-18(21)26-19-11-5-9-17(24)22(19)20/h1,3,6-7,13,20H,4-5,8-12H2