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

Systemtic Name: 5-(3-cyanopropylsulfonyl)-2-methoxy-benzoic acid Openeye Name: 5-(3-cyanopropylsulfonyl)-2-methoxy-benzoic acid CAS Name: 5-(3-cyanopropylsulfonyl)-2-methoxybenzoic acid IUPAC Name: 5-(3-cyanopropylsulfonyl)-2-methoxybenzoic acid Traditional Name: 5-(3-cyanopropylsulfonyl)-2-methoxy-benzoic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S/c1-18-11-5-4-9(8-10(11)12(14)15)19(16,17)7-3-2-6-13/h4-5,8H,2-3,7H2,1H3,(H,14,15)