2-[(1,6-dimethoxy-1-methyl-2-oxidanyl-pyridin-1-ium-2-id-3-yl)sulfonylamino]butanedioic acid

Systemtic Name: 2-[(1,6-dimethoxy-1-methyl-2-oxidanyl-pyridin-1-ium-2-id-3-yl)sulfonylamino]butanedioic acid Openeye Name: 2-[(2-hydroxy-1,6-dimethoxy-1-methyl-pyridin-1-ium-2-id-3-yl)sulfonylamino]butanedioic acid CAS Name: 2-[(2-hydroxy-1,6-dimethoxy-1-methyl-3-pyridin-1-ium-2-idyl)sulfonylamino]butanedioic acid IUPAC Name: 2-[(2-hydroxy-1,6-dimethoxy-1-methylpyridin-1-ium-2-id-3-yl)sulfonylamino]butanedioic acid Traditional Name: 2-[(2-hydroxy-1,6-dimethoxy-1-methyl-pyridin-1-ium-2-id-3-yl)sulfonylamino]succinic acid Formula: C12H18N2O9S MolecularWeight: 366.34432

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1([C-](C(=CC=C1OC)S(=O)(=O)NC(CC(=O)O)C(=O)O)O)OC

Isomeric SMILES

C[N+]1([C-](C(=CC=C1OC)S(=O)(=O)NC(CC(=O)O)C(=O)O)O)OC

InChI

InChI=1S/C12H18N2O9S/c1-14(23-3)9(22-2)5-4-8(11(14)17)24(20,21)13-7(12(18)19)6-10(15)16/h4-5,7,13,17H,6H2,1-3H3,(H,15,16)(H,18,19)