2,2-bis(1,2-thiazol-3-yl)hexanedioic acid

Systemtic Name: 2,2-bis(1,2-thiazol-3-yl)hexanedioic acid Openeye Name: 2,2-di(isothiazol-3-yl)hexanedioic acid CAS Name: 2,2-bis(3-isothiazolyl)hexanedioic acid IUPAC Name: 2,2-bis(1,2-thiazol-3-yl)hexanedioic acid Traditional Name: 2,2-di(isothiazol-3-yl)adipic acid Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSN=C1C(CCCC(=O)O)(C2=NSC=C2)C(=O)O

Isomeric SMILES

C1=CSN=C1C(CCCC(=O)O)(C2=NSC=C2)C(=O)O

InChI

InChI=1S/C12H12N2O4S2/c15-10(16)2-1-5-12(11(17)18,8-3-6-19-13-8)9-4-7-20-14-9/h3-4,6-7H,1-2,5H2,(H,15,16)(H,17,18)