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

Systemtic Name: 9-(5-bromanyl-2-methoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(5-bromo-2-methoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(5-bromo-2-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(5-bromo-2-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(5-bromo-2-methoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C20H19BrO4 MolecularWeight: 403.26646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

InChI

InChI=1S/C20H19BrO4/c1-24-15-9-8-11(21)10-12(15)18-19-13(22)4-2-6-16(19)25-17-7-3-5-14(23)20(17)18/h8-10,18H,2-7H2,1H3