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

Systemtic Name: 9-(3-bromanyl-4-oxidanyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-bromo-4-hydroxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-bromo-4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-bromo-4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-bromo-4-hydroxy-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C19H17BrO4 MolecularWeight: 389.23988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C=C4)O)Br)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C=C4)O)Br)C(=O)C1

InChI

InChI=1S/C19H17BrO4/c20-11-9-10(7-8-12(11)21)17-18-13(22)3-1-5-15(18)24-16-6-2-4-14(23)19(16)17/h7-9,17,21H,1-6H2