4,7-bis[(4,5-diphenyl-1,2,3-triazol-1-yl)methyl]-1,3-dioxepane-5,6-diol

Systemtic Name: 4,7-bis[(4,5-diphenyl-1,2,3-triazol-1-yl)methyl]-1,3-dioxepane-5,6-diol Openeye Name: 4,7-bis[(4,5-diphenyltriazol-1-yl)methyl]-1,3-dioxepane-5,6-diol CAS Name: 4,7-bis[(4,5-diphenyl-1-triazolyl)methyl]-1,3-dioxepane-5,6-diol IUPAC Name: 4,7-bis[(4,5-diphenyltriazol-1-yl)methyl]-1,3-dioxepane-5,6-diol Traditional Name: 4,7-bis[(4,5-diphenyltriazol-1-yl)methyl]-1,3-dioxepane-5,6-diol Formula: C35H32N6O4 MolecularWeight: 600.66638

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Descriptors Computed from Structure

Canonical SMILES:

C1OC(C(C(C(O1)CN2C(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)O)O)CN5C(=C(N=N5)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1OC(C(C(C(O1)CN2C(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)O)O)CN5C(=C(N=N5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C35H32N6O4/c42-34-28(21-40-32(26-17-9-3-10-18-26)30(36-38-40)24-13-5-1-6-14-24)44-23-45-29(35(34)43)22-41-33(27-19-11-4-12-20-27)31(37-39-41)25-15-7-2-8-16-25/h1-20,28-29,34-35,42-43H,21-23H2