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

Systemtic Name: dimethyl 2,5-bis(5-phenyl-1,2,3,4-tetrazol-2-yl)hexanedioate Openeye Name: dimethyl 2,5-bis(5-phenyltetrazol-2-yl)hexanedioate CAS Name: 2,5-bis(5-phenyl-2-tetrazolyl)hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(5-phenyltetrazol-2-yl)hexanedioate Traditional Name: 2,5-bis(5-phenyltetrazol-2-yl)adipic acid dimethyl ester Formula: C22H22N8O4 MolecularWeight: 462.46128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N8O4/c1-33-21(31)17(29-25-19(23-27-29)15-9-5-3-6-10-15)13-14-18(22(32)34-2)30-26-20(24-28-30)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3