2,5-bis(chloranyl)-3-(3-cyanopropylsulfonyl)benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-(3-cyanopropylsulfonyl)benzoic acid Openeye Name: 2,5-dichloro-3-(3-cyanopropylsulfonyl)benzoic acid CAS Name: 2,5-dichloro-3-(3-cyanopropylsulfonyl)benzoic acid IUPAC Name: 2,5-dichloro-3-(3-cyanopropylsulfonyl)benzoic acid Traditional Name: 2,5-dichloro-3-(3-cyanopropylsulfonyl)benzoic acid Formula: C11H9Cl2NO4S MolecularWeight: 322.16446

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)CCCC#N)Cl)C(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)CCCC#N)Cl)C(=O)O)Cl

InChI

InChI=1S/C11H9Cl2NO4S/c12-7-5-8(11(15)16)10(13)9(6-7)19(17,18)4-2-1-3-14/h5-6H,1-2,4H2,(H,15,16)