5-chloranylsulfonyl-2-methyl-4-pentyl-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2-methyl-4-pentyl-benzoic acid Openeye Name: 5-chlorosulfonyl-2-methyl-4-pentyl-benzoic acid CAS Name: 5-chlorosulfonyl-2-methyl-4-pentylbenzoic acid IUPAC Name: 5-chlorosulfonyl-2-methyl-4-pentylbenzoic acid Traditional Name: 4-amyl-5-chlorosulfonyl-2-methyl-benzoic acid Formula: C13H17ClO4S MolecularWeight: 304.78968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)Cl

Isomeric SMILES

CCCCCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)Cl

InChI

InChI=1S/C13H17ClO4S/c1-3-4-5-6-10-7-9(2)11(13(15)16)8-12(10)19(14,17)18/h7-8H,3-6H2,1-2H3,(H,15,16)