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

Systemtic Name: 5-chloranylsulfonyl-2-methyl-4-propyl-benzoic acid Openeye Name: 5-chlorosulfonyl-2-methyl-4-propyl-benzoic acid CAS Name: 5-chlorosulfonyl-2-methyl-4-propylbenzoic acid IUPAC Name: 5-chlorosulfonyl-2-methyl-4-propylbenzoic acid Traditional Name: 5-chlorosulfonyl-2-methyl-4-propyl-benzoic acid Formula: C11H13ClO4S MolecularWeight: 276.73652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)Cl

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)Cl

InChI

InChI=1S/C11H13ClO4S/c1-3-4-8-5-7(2)9(11(13)14)6-10(8)17(12,15)16/h5-6H,3-4H2,1-2H3,(H,13,14)