ethane-1,1-disulfonic acid; 2-(4-methyl-1,3-thiazol-5-yl)ethyl ethanoate

Systemtic Name: ethane-1,1-disulfonic acid; 2-(4-methyl-1,3-thiazol-5-yl)ethyl ethanoate Openeye Name: ethane-1,1-disulfonic acid; 2-(4-methylthiazol-5-yl)ethyl acetate CAS Name: acetic acid 2-(4-methyl-5-thiazolyl)ethyl ester; ethane-1,1-disulfonic acid IUPAC Name: ethane-1,1-disulfonic acid; 2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate Traditional Name: acetic acid 2-(4-methylthiazol-5-yl)ethyl ester; ethane-1,1-disulfonic acid Formula: C10H17NO8S3 MolecularWeight: 375.43888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCOC(=O)C.CC(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(SC=N1)CCOC(=O)C.CC(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C8H11NO2S.C2H6O6S2/c1-6-8(12-5-9-6)3-4-11-7(2)10;1-2(9(3,4)5)10(6,7)8/h5H,3-4H2,1-2H3;2H,1H3,(H,3,4,5)(H,6,7,8)