4-(3-bromanylpropanoylamino)-3-(3-bromanylpropanoyloxy)benzenesulfonic acid

Systemtic Name: 4-(3-bromanylpropanoylamino)-3-(3-bromanylpropanoyloxy)benzenesulfonic acid Openeye Name: 4-(3-bromopropanoylamino)-3-(3-bromopropanoyloxy)benzenesulfonic acid CAS Name: 3-(3-bromo-1-oxopropoxy)-4-[(3-bromo-1-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 4-(3-bromopropanoylamino)-3-(3-bromopropanoyloxy)benzenesulfonic acid Traditional Name: 4-(3-bromopropanoylamino)-3-(3-bromopropanoyloxy)besylic acid Formula: C12H13Br2NO6S MolecularWeight: 459.10772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)OC(=O)CCBr)NC(=O)CCBr

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)OC(=O)CCBr)NC(=O)CCBr

InChI

InChI=1S/C12H13Br2NO6S/c13-5-3-11(16)15-9-2-1-8(22(18,19)20)7-10(9)21-12(17)4-6-14/h1-2,7H,3-6H2,(H,15,16)(H,18,19,20)