4-(3-cyanopropylsulfonyl)benzoate

Systemtic Name: 4-(3-cyanopropylsulfonyl)benzoate Openeye Name: 4-(3-cyanopropylsulfonyl)benzoate CAS Name: 4-(3-cyanopropylsulfonyl)benzoate IUPAC Name: 4-(3-cyanopropylsulfonyl)benzoate Traditional Name: 4-(3-cyanopropylsulfonyl)benzoate Formula: C11H10NO4S- MolecularWeight: 252.2664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CCCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CCCC#N

InChI

InChI=1S/C11H11NO4S/c12-7-1-2-8-17(15,16)10-5-3-9(4-6-10)11(13)14/h3-6H,1-2,8H2,(H,13,14)/p-1