3-(2-bromophenyl)carbonyl-4-oxidanyl-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid

Systemtic Name: 3-(2-bromophenyl)carbonyl-4-oxidanyl-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid Openeye Name: 3-(2-bromobenzoyl)-4-hydroxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid CAS Name: 3-[(2-bromophenyl)-oxomethyl]-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5-trienecarboxylic acid IUPAC Name: 3-(2-bromobenzoyl)-4-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid Traditional Name: 3-(2-bromobenzoyl)-4-hydroxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid Formula: C16H11BrO4 MolecularWeight: 347.16014

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C1C=C(C(=C2)O)C(=O)C3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1C(C2=C1C=C(C(=C2)O)C(=O)C3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C16H11BrO4/c17-13-4-2-1-3-9(13)15(19)12-6-8-5-11(16(20)21)10(8)7-14(12)18/h1-4,6-7,11,18H,5H2,(H,20,21)