3-butylsulfonyl-4-chloranyl-benzoic acid

Systemtic Name: 3-butylsulfonyl-4-chloranyl-benzoic acid Openeye Name: 3-butylsulfonyl-4-chloro-benzoic acid CAS Name: 3-butylsulfonyl-4-chlorobenzoic acid IUPAC Name: 3-butylsulfonyl-4-chlorobenzoic acid Traditional Name: 3-butylsulfonyl-4-chloro-benzoic acid Formula: C11H13ClO4S MolecularWeight: 276.73652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C11H13ClO4S/c1-2-3-6-17(15,16)10-7-8(11(13)14)4-5-9(10)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)