3-methyl-1,2-thiazol-4-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-methyl-1,2-thiazol-4-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-methylisothiazol-4-one CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-methyl-4-isothiazolone IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-methyl-1,2-thiazol-4-one Traditional Name: citric acid; 3-methyl-2-isothiazolin-4-one Formula: C10H13NO8S MolecularWeight: 307.27712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSCC1=O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=NSCC1=O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C6H8O7.C4H5NOS/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3-4(6)2-7-5-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H2,1H3