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

Systemtic Name: 9-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C20H19BrO5 MolecularWeight: 419.26586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrO5/c1-25-16-9-10(8-11(21)20(16)24)17-18-12(22)4-2-6-14(18)26-15-7-3-5-13(23)19(15)17/h8-9,17,24H,2-7H2,1H3