7-methyl-4-(9-methyl-6,6-dioctyl-benzo[d][1,3]benzodioxepin-3-yl)-2,1,3-benzoxadiazole

Systemtic Name: 7-methyl-4-(9-methyl-6,6-dioctyl-benzo[d][1,3]benzodioxepin-3-yl)-2,1,3-benzoxadiazole Openeye Name: 7-methyl-4-(9-methyl-6,6-dioctyl-benzo[d][1,3]benzodioxepin-3-yl)-2,1,3-benzoxadiazole CAS Name: 7-methyl-4-(9-methyl-6,6-dioctyl-3-benzo[d][1,3]benzodioxepinyl)-2,1,3-benzoxadiazole IUPAC Name: 7-methyl-4-(9-methyl-6,6-dioctylbenzo[d][1,3]benzodioxepin-3-yl)-2,1,3-benzoxadiazole Traditional Name: 4-methyl-7-(9-methyl-6,6-dioctyl-benzo[d][1,3]benzodioxepin-3-yl)benzofurazan Formula: C37H48N2O3 MolecularWeight: 568.78862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(OC2=C(C=CC(=C2)C)C3=C(O1)C=C(C=C3)C4=CC=C(C5=NON=C45)C)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1(OC2=C(C=CC(=C2)C)C3=C(O1)C=C(C=C3)C4=CC=C(C5=NON=C45)C)CCCCCCCC

InChI

InChI=1S/C37H48N2O3/c1-5-7-9-11-13-15-23-37(24-16-14-12-10-8-6-2)40-33-25-27(3)17-20-31(33)32-22-19-29(26-34(32)41-37)30-21-18-28(4)35-36(30)39-42-38-35/h17-22,25-26H,5-16,23-24H2,1-4H3