5-(3-cyanopropylsulfonyl)-2,3-dimethoxy-benzoic acid

Systemtic Name: 5-(3-cyanopropylsulfonyl)-2,3-dimethoxy-benzoic acid Openeye Name: 5-(3-cyanopropylsulfonyl)-2,3-dimethoxy-benzoic acid CAS Name: 5-(3-cyanopropylsulfonyl)-2,3-dimethoxybenzoic acid IUPAC Name: 5-(3-cyanopropylsulfonyl)-2,3-dimethoxybenzoic acid Traditional Name: 5-(3-cyanopropylsulfonyl)-2,3-dimethoxy-benzoic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)CCCC#N)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)CCCC#N)C(=O)O)OC

InChI

InChI=1S/C13H15NO6S/c1-19-11-8-9(21(17,18)6-4-3-5-14)7-10(13(15)16)12(11)20-2/h7-8H,3-4,6H2,1-2H3,(H,15,16)