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

Systemtic Name: 9-(2-bromanyl-5-methoxy-4-propoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(2-bromo-5-methoxy-4-propoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(2-bromo-5-methoxy-4-propoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(2-bromo-5-methoxy-4-propoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(2-bromo-5-methoxy-4-propoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C23H25BrO5 MolecularWeight: 461.3456

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OC

InChI

InChI=1S/C23H25BrO5/c1-3-10-28-20-12-14(24)13(11-19(20)27-2)21-22-15(25)6-4-8-17(22)29-18-9-5-7-16(26)23(18)21/h11-12,21H,3-10H2,1-2H3