3-(4-methylphenyl)-5-undecyl-1H-4,1,2-benzoxadiazine-6,7-diol

Systemtic Name: 3-(4-methylphenyl)-5-undecyl-1H-4,1,2-benzoxadiazine-6,7-diol Openeye Name: 3-(p-tolyl)-5-undecyl-1H-4,1,2-benzoxadiazine-6,7-diol CAS Name: 3-(4-methylphenyl)-5-undecyl-1H-4,1,2-benzoxadiazine-6,7-diol IUPAC Name: 3-(4-methylphenyl)-5-undecyl-1H-4,1,2-benzoxadiazine-6,7-diol Traditional Name: 3-(p-tolyl)-5-undecyl-1H-4,1,2-benzoxadiazine-6,7-diol Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C(=CC(=C1O)O)NN=C(O2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCC1=C2C(=CC(=C1O)O)NN=C(O2)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H34N2O3/c1-3-4-5-6-7-8-9-10-11-12-20-23(29)22(28)17-21-24(20)30-25(27-26-21)19-15-13-18(2)14-16-19/h13-17,26,28-29H,3-12H2,1-2H3