5-(3-cyanopropylsulfonyl)-2,4-dimethyl-benzoic acid

Systemtic Name: 5-(3-cyanopropylsulfonyl)-2,4-dimethyl-benzoic acid Openeye Name: 5-(3-cyanopropylsulfonyl)-2,4-dimethyl-benzoic acid CAS Name: 5-(3-cyanopropylsulfonyl)-2,4-dimethylbenzoic acid IUPAC Name: 5-(3-cyanopropylsulfonyl)-2,4-dimethylbenzoic acid Traditional Name: 5-(3-cyanopropylsulfonyl)-2,4-dimethyl-benzoic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CCCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CCCC#N)C

InChI

InChI=1S/C13H15NO4S/c1-9-7-10(2)12(8-11(9)13(15)16)19(17,18)6-4-3-5-14/h7-8H,3-4,6H2,1-2H3,(H,15,16)