(4-octoxyphenyl)-[4-(4-octoxyphenyl)carbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]methanone

Systemtic Name: (4-octoxyphenyl)-[4-(4-octoxyphenyl)carbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]methanone Openeye Name: [4-(4-octoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-octoxyphenyl)methanone CAS Name: (4-octoxyphenyl)-[4-[(4-octoxyphenyl)-oxomethyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]methanone IUPAC Name: [4-(4-octoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-octoxyphenyl)methanone Traditional Name: [4-(4-octoxybenzoyl)-5-oxido-furazan-5-ium-3-yl]-(4-octoxyphenyl)methanone Formula: C32H42N2O6 MolecularWeight: 550.68568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)OCCCCCCCC)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)OCCCCCCCC)[O-]

InChI

InChI=1S/C32H42N2O6/c1-3-5-7-9-11-13-23-38-27-19-15-25(16-20-27)31(35)29-30(34(37)40-33-29)32(36)26-17-21-28(22-18-26)39-24-14-12-10-8-6-4-2/h15-22H,3-14,23-24H2,1-2H3