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

Systemtic Name: 9-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C24H23BrO5 MolecularWeight: 471.34042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrO5/c1-3-11-29-24-15(25)12-14(13-20(24)28-4-2)21-22-16(26)7-5-9-18(22)30-19-10-6-8-17(27)23(19)21/h1,12-13,21H,4-11H2,2H3