4-(chloromethyl)-5-methyl-6-oxidanyl-2-oxidanylidene-1-(2-sulfoethyl)pyridine-3-sulfonic acid

Systemtic Name: 4-(chloromethyl)-5-methyl-6-oxidanyl-2-oxidanylidene-1-(2-sulfoethyl)pyridine-3-sulfonic acid Openeye Name: 4-(chloromethyl)-6-hydroxy-5-methyl-2-oxo-1-(2-sulfoethyl)pyridine-3-sulfonic acid CAS Name: 4-(chloromethyl)-6-hydroxy-5-methyl-2-oxo-1-(2-sulfoethyl)-3-pyridinesulfonic acid IUPAC Name: 4-(chloromethyl)-6-hydroxy-5-methyl-2-oxo-1-(2-sulfoethyl)pyridine-3-sulfonic acid Traditional Name: 4-(chloromethyl)-6-hydroxy-2-keto-5-methyl-1-(2-sulfoethyl)pyridine-3-sulfonic acid Formula: C9H12ClNO8S2 MolecularWeight: 361.77648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)C(=C1CCl)S(=O)(=O)O)CCS(=O)(=O)O)O

Isomeric SMILES

CC1=C(N(C(=O)C(=C1CCl)S(=O)(=O)O)CCS(=O)(=O)O)O

InChI

InChI=1S/C9H12ClNO8S2/c1-5-6(4-10)7(21(17,18)19)9(13)11(8(5)12)2-3-20(14,15)16/h12H,2-4H2,1H3,(H,14,15,16)(H,17,18,19)