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bis[2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl] hexanedioate

bis[2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl] hexanedioate

Systemtic Name:bis[2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl] hexanedioate
Openeye Name:bis[2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl] hexanedioate
CAS Name:hexanedioic acid bis[2-(3,4-dimethyl-5-thiazol-3-iumyl)ethyl] ester
IUPAC Name:bis[2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl] hexanedioate
Traditional Name:adipic acid bis[2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl] ester
Formula: C20H30N2O4S2+2
MolecularWeight: 426.5932
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1C)CCOC(=O)CCCCC(=O)OCCC2=C([N+](=CS2)C)C


Isomeric SMILES

CC1=C(SC=[N+]1C)CCOC(=O)CCCCC(=O)OCCC2=C([N+](=CS2)C)C


InChI

InChI=1S/C20H30N2O4S2/c1-15-17(27-13-21(15)3)9-11-25-19(23)7-5-6-8-20(24)26-12-10-18-16(2)22(4)14-28-18/h13-14H,5-12H2,1-4H3/q+2


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