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

Systemtic Name: 9-(3-methoxy-4-prop-2-ynoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-methoxy-4-prop-2-ynoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-methoxy-4-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-methoxy-4-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-methoxy-4-propargyloxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C23H22O5 MolecularWeight: 378.41778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC#C

InChI

InChI=1S/C23H22O5/c1-3-12-27-17-11-10-14(13-20(17)26-2)21-22-15(24)6-4-8-18(22)28-19-9-5-7-16(25)23(19)21/h1,10-11,13,21H,4-9,12H2,2H3