benzene-1,3,5-tricarboxylic acid; copper; 5-methyl-1,3,4-thiadiazol-2-amine

Systemtic Name: benzene-1,3,5-tricarboxylic acid; copper; 5-methyl-1,3,4-thiadiazol-2-amine Openeye Name: benzene-1,3,5-tricarboxylic acid; copper; 5-methyl-1,3,4-thiadiazol-2-amine CAS Name: benzene-1,3,5-tricarboxylic acid; copper; 5-methyl-1,3,4-thiadiazol-2-amine IUPAC Name: benzene-1,3,5-tricarboxylic acid; copper; 5-methyl-1,3,4-thiadiazol-2-amine Traditional Name: copper; (5-methyl-1,3,4-thiadiazol-2-yl)amine; trimesic acid Formula: C24H22CuN6O12S2 MolecularWeight: 714.14048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)N.CC1=NN=C(S1)N.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O.[Cu]

Isomeric SMILES

CC1=NN=C(S1)N.CC1=NN=C(S1)N.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O.[Cu]

InChI

InChI=1S/2C9H6O6.2C3H5N3S.Cu/c2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;2*1-2-5-6-3(4)7-2;/h2*1-3H,(H,10,11)(H,12,13)(H,14,15);2*1H3,(H2,4,6);