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

Systemtic Name: 9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C19H17BrO3 MolecularWeight: 373.24048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrO3/c20-12-5-1-4-11(10-12)17-18-13(21)6-2-8-15(18)23-16-9-3-7-14(22)19(16)17/h1,4-5,10,17H,2-3,6-9H2