2-bromanyl-5-(3-cyanopropylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(3-cyanopropylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(3-cyanopropylsulfonyl)benzoic acid CAS Name: 2-bromo-5-(3-cyanopropylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(3-cyanopropylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(3-cyanopropylsulfonyl)benzoic acid Formula: C11H10BrNO4S MolecularWeight: 332.1704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCCC#N)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCCC#N)C(=O)O)Br

InChI

InChI=1S/C11H10BrNO4S/c12-10-4-3-8(7-9(10)11(14)15)18(16,17)6-2-1-5-13/h3-4,7H,1-2,6H2,(H,14,15)