4-chloranyl-3-(3-cyanopropylsulfonyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(3-cyanopropylsulfonyl)benzoic acid Openeye Name: 4-chloro-3-(3-cyanopropylsulfonyl)benzoic acid CAS Name: 4-chloro-3-(3-cyanopropylsulfonyl)benzoic acid IUPAC Name: 4-chloro-3-(3-cyanopropylsulfonyl)benzoic acid Traditional Name: 4-chloro-3-(3-cyanopropylsulfonyl)benzoic acid Formula: C11H10ClNO4S MolecularWeight: 287.7194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CCCC#N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CCCC#N)Cl

InChI

InChI=1S/C11H10ClNO4S/c12-9-4-3-8(11(14)15)7-10(9)18(16,17)6-2-1-5-13/h3-4,7H,1-2,6H2,(H,14,15)