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

Systemtic Name: 5-chloranylsulfonyl-4-cyclobutyl-2-methyl-benzoic acid Openeye Name: 5-chlorosulfonyl-4-cyclobutyl-2-methyl-benzoic acid CAS Name: 5-chlorosulfonyl-4-cyclobutyl-2-methylbenzoic acid IUPAC Name: 5-chlorosulfonyl-4-cyclobutyl-2-methylbenzoic acid Traditional Name: 5-chlorosulfonyl-4-cyclobutyl-2-methyl-benzoic acid Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)C2CCC2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)C2CCC2

InChI

InChI=1S/C12H13ClO4S/c1-7-5-10(8-3-2-4-8)11(18(13,16)17)6-9(7)12(14)15/h5-6,8H,2-4H2,1H3,(H,14,15)