4-(4-bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Systemtic Name: 4-(4-bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Openeye Name: 4-(4-bromophenyl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione CAS Name: 4-(4-bromophenyl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione IUPAC Name: 4-(4-bromophenyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Traditional Name: 4-(4-bromophenyl)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone Formula: C14H11BrO3 MolecularWeight: 307.13934

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C2C1C(=O)OC2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C=CC(C2C1C(=O)OC2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H11BrO3/c15-9-6-4-8(5-7-9)10-2-1-3-11-12(10)14(17)18-13(11)16/h1-2,4-7,10-12H,3H2