[6-acetyloxy-1-ethanoyl-3-(4-methylphenyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] ethanoate

Systemtic Name: [6-acetyloxy-1-ethanoyl-3-(4-methylphenyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] ethanoate Openeye Name: [6-acetoxy-1-acetyl-3-(p-tolyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] acetate CAS Name: acetic acid [1-acetyl-6-acetyloxy-3-(4-methylphenyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] ester IUPAC Name: [1-acetyl-6-acetyloxy-3-(4-methylphenyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] acetate Traditional Name: acetic acid [6-acetoxy-1-acetyl-3-(p-tolyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] ester Formula: C31H40N2O6 MolecularWeight: 536.6591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C(=CC(=C1OC(=O)C)OC(=O)C)N(N=C(O2)C3=CC=C(C=C3)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCC1=C2C(=CC(=C1OC(=O)C)OC(=O)C)N(N=C(O2)C3=CC=C(C=C3)C)C(=O)C

InChI

InChI=1S/C31H40N2O6/c1-6-7-8-9-10-11-12-13-14-15-26-29-27(20-28(37-23(4)35)30(26)38-24(5)36)33(22(3)34)32-31(39-29)25-18-16-21(2)17-19-25/h16-20H,6-15H2,1-5H3