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

Systemtic Name: 5-chloranylsulfonyl-4-ethyl-2-methyl-benzoic acid Openeye Name: 5-chlorosulfonyl-4-ethyl-2-methyl-benzoic acid CAS Name: 5-chlorosulfonyl-4-ethyl-2-methylbenzoic acid IUPAC Name: 5-chlorosulfonyl-4-ethyl-2-methylbenzoic acid Traditional Name: 5-chlorosulfonyl-4-ethyl-2-methyl-benzoic acid Formula: C10H11ClO4S MolecularWeight: 262.70994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)Cl

Isomeric SMILES

CCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)Cl

InChI

InChI=1S/C10H11ClO4S/c1-3-7-4-6(2)8(10(12)13)5-9(7)16(11,14)15/h4-5H,3H2,1-2H3,(H,12,13)