4-(3-chloranylpropanoylamino)-3-(3-chloranylpropanoyloxy)benzenesulfonic acid

Systemtic Name: 4-(3-chloranylpropanoylamino)-3-(3-chloranylpropanoyloxy)benzenesulfonic acid Openeye Name: 4-(3-chloropropanoylamino)-3-(3-chloropropanoyloxy)benzenesulfonic acid CAS Name: 3-(3-chloro-1-oxopropoxy)-4-[(3-chloro-1-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 4-(3-chloropropanoylamino)-3-(3-chloropropanoyloxy)benzenesulfonic acid Traditional Name: 4-(3-chloropropanoylamino)-3-(3-chloropropanoyloxy)besylic acid Formula: C12H13Cl2NO6S MolecularWeight: 370.20572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO6S/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)