2-(5-chloranylsulfonyl-2-methyl-1,3-benzodioxol-2-yl)butanoate

Systemtic Name: 2-(5-chloranylsulfonyl-2-methyl-1,3-benzodioxol-2-yl)butanoate Openeye Name: 2-(5-chlorosulfonyl-2-methyl-1,3-benzodioxol-2-yl)butanoate CAS Name: 2-(5-chlorosulfonyl-2-methyl-1,3-benzodioxol-2-yl)butanoate IUPAC Name: 2-(5-chlorosulfonyl-2-methyl-1,3-benzodioxol-2-yl)butanoate Traditional Name: 2-(5-chlorosulfonyl-2-methyl-1,3-benzodioxol-2-yl)butyrate Formula: C12H12ClO6S- MolecularWeight: 319.73808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])C1(OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl)C

Isomeric SMILES

CCC(C(=O)[O-])C1(OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl)C

InChI

InChI=1S/C12H13ClO6S/c1-3-8(11(14)15)12(2)18-9-5-4-7(20(13,16)17)6-10(9)19-12/h4-6,8H,3H2,1-2H3,(H,14,15)/p-1