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

Systemtic Name: 5-(cyclopropylmethylsulfonyl)-2,3-dimethoxy-benzoic acid Openeye Name: 5-(cyclopropylmethylsulfonyl)-2,3-dimethoxy-benzoic acid CAS Name: 5-(cyclopropylmethylsulfonyl)-2,3-dimethoxybenzoic acid IUPAC Name: 5-(cyclopropylmethylsulfonyl)-2,3-dimethoxybenzoic acid Traditional Name: 5-(cyclopropylmethylsulfonyl)-2,3-dimethoxy-benzoic acid Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)CC2CC2)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)CC2CC2)C(=O)O)OC

InChI

InChI=1S/C13H16O6S/c1-18-11-6-9(20(16,17)7-8-3-4-8)5-10(13(14)15)12(11)19-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)