5-(2-bromophenyl)carbonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-(2-bromophenyl)carbonyl-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-(2-bromobenzoyl)-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[(2-bromophenyl)-oxomethyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-(2-bromobenzoyl)-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-(2-bromobenzoyl)-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C16H11BrO5 MolecularWeight: 363.15954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)C3=CC=CC=C3Br)OC(O2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)C3=CC=CC=C3Br)OC(O2)C(=O)O

InChI

InChI=1S/C16H11BrO5/c1-8-6-12-13(22-16(21-12)15(19)20)7-10(8)14(18)9-4-2-3-5-11(9)17/h2-7,16H,1H3,(H,19,20)