dimethyl 2,5-bis(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)hexanedioate

Systemtic Name: dimethyl 2,5-bis(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)hexanedioate Openeye Name: dimethyl 2,5-bis[5-(2-thienyl)tetrazol-2-yl]hexanedioate CAS Name: 2,5-bis(5-thiophen-2-yl-2-tetrazolyl)hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(5-thiophen-2-yltetrazol-2-yl)hexanedioate Traditional Name: 2,5-bis[5-(2-thienyl)tetrazol-2-yl]adipic acid dimethyl ester Formula: C18H18N8O4S2 MolecularWeight: 474.51672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)N1N=C(N=N1)C2=CC=CS2)N3N=C(N=N3)C4=CC=CS4

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)N1N=C(N=N1)C2=CC=CS2)N3N=C(N=N3)C4=CC=CS4

InChI

InChI=1S/C18H18N8O4S2/c1-29-17(27)11(25-21-15(19-23-25)13-5-3-9-31-13)7-8-12(18(28)30-2)26-22-16(20-24-26)14-6-4-10-32-14/h3-6,9-12H,7-8H2,1-2H3