5-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-2,3-dimethoxy-benzoic acid

Systemtic Name: 5-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-2,3-dimethoxy-benzoic acid Openeye Name: 5-(3-amino-3-oxo-propyl)sulfonyl-2,3-dimethoxy-benzoic acid CAS Name: 5-(3-amino-3-oxopropyl)sulfonyl-2,3-dimethoxybenzoic acid IUPAC Name: 5-(3-amino-3-oxopropyl)sulfonyl-2,3-dimethoxybenzoic acid Traditional Name: 5-(3-amino-3-keto-propyl)sulfonyl-2,3-dimethoxy-benzoic acid Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)CCC(=O)N)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)CCC(=O)N)C(=O)O)OC

InChI

InChI=1S/C12H15NO7S/c1-19-9-6-7(21(17,18)4-3-10(13)14)5-8(12(15)16)11(9)20-2/h5-6H,3-4H2,1-2H3,(H2,13,14)(H,15,16)