3-[2,5-bis(bromanyl)phenyl]sulfonyloxybenzoic acid

Systemtic Name: 3-[2,5-bis(bromanyl)phenyl]sulfonyloxybenzoic acid Openeye Name: 3-(2,5-dibromophenyl)sulfonyloxybenzoic acid CAS Name: 3-(2,5-dibromophenyl)sulfonyloxybenzoic acid IUPAC Name: 3-(2,5-dibromophenyl)sulfonyloxybenzoic acid Traditional Name: 3-(2,5-dibromophenyl)sulfonyloxybenzoic acid Formula: C13H8Br2O5S MolecularWeight: 436.07262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=C(C=CC(=C2)Br)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=C(C=CC(=C2)Br)Br)C(=O)O

InChI

InChI=1S/C13H8Br2O5S/c14-9-4-5-11(15)12(7-9)21(18,19)20-10-3-1-2-8(6-10)13(16)17/h1-7H,(H,16,17)