4-butan-2-yl-5-chloranylsulfonyl-2-methyl-benzoic acid

Systemtic Name: 4-butan-2-yl-5-chloranylsulfonyl-2-methyl-benzoic acid Openeye Name: 5-chlorosulfonyl-2-methyl-4-sec-butyl-benzoic acid CAS Name: 4-butan-2-yl-5-chlorosulfonyl-2-methylbenzoic acid IUPAC Name: 4-butan-2-yl-5-chlorosulfonyl-2-methylbenzoic acid Traditional Name: 5-chlorosulfonyl-2-methyl-4-sec-butyl-benzoic acid Formula: C12H15ClO4S MolecularWeight: 290.7631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)Cl

Isomeric SMILES

CCC(C)C1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)Cl

InChI

InChI=1S/C12H15ClO4S/c1-4-7(2)9-5-8(3)10(12(14)15)6-11(9)18(13,16)17/h5-7H,4H2,1-3H3,(H,14,15)