1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-chloranyl-5,6-dinitro-benzimidazole

Systemtic Name: 1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-chloranyl-5,6-dinitro-benzimidazole Openeye Name: 2-chloro-1-[3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-5,6-dinitro-benzimidazole CAS Name: 1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-2-chloro-5,6-dinitrobenzimidazole IUPAC Name: 1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-chloro-5,6-dinitrobenzimidazole Traditional Name: 2-chloro-1-[3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrofuran-2-yl]-5,6-dinitro-benzimidazole Formula: C33H29ClN4O8 MolecularWeight: 645.05836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(O2)N3C4=CC(=C(C=C4N=C3Cl)[N+](=O)[O-])[N+](=O)[O-])OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(O2)N3C4=CC(=C(C=C4N=C3Cl)[N+](=O)[O-])[N+](=O)[O-])OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C33H29ClN4O8/c34-33-35-25-16-27(37(39)40)28(38(41)42)17-26(25)36(33)32-31(45-20-24-14-8-3-9-15-24)30(44-19-23-12-6-2-7-13-23)29(46-32)21-43-18-22-10-4-1-5-11-22/h1-17,29-32H,18-21H2