[4-[(6Z,12Z)-12-(4-acetyloxyphenyl)-2,4,8,10-tetrakis(chloranyl)benzo[c][1,5]benzodiazocin-6-yl]phenyl] ethanoate

Systemtic Name: [4-[(6Z,12Z)-12-(4-acetyloxyphenyl)-2,4,8,10-tetrakis(chloranyl)benzo[c][1,5]benzodiazocin-6-yl]phenyl] ethanoate Openeye Name: [4-[(6Z,12Z)-12-(4-acetoxyphenyl)-2,4,8,10-tetrachloro-benzo[c][1,5]benzodiazocin-6-yl]phenyl] acetate CAS Name: acetic acid [4-[(6Z,12Z)-12-(4-acetyloxyphenyl)-2,4,8,10-tetrachloro-6-benzo[c][1,5]benzodiazocinyl]phenyl] ester IUPAC Name: [4-[(6Z,12Z)-12-(4-acetyloxyphenyl)-2,4,8,10-tetrachlorobenzo[c][1,5]benzodiazocin-6-yl]phenyl] acetate Traditional Name: acetic acid [4-[(6Z,12Z)-12-(4-acetoxyphenyl)-2,4,8,10-tetrachloro-benzo[c][1,5]benzodiazocin-6-yl]phenyl] ester Formula: C30H18Cl4N2O4 MolecularWeight: 612.28692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=C3C=C(C=C(C3=NC(=C4C=C(C=C(C4=N2)Cl)Cl)C5=CC=C(C=C5)OC(=O)C)Cl)Cl

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C/2=C\3/C(=N/C(=C/4\C(=N2)C(=CC(=C4)Cl)Cl)/C5=CC=C(C=C5)OC(=O)C)C(=CC(=C3)Cl)Cl

InChI

InChI=1S/C30H18Cl4N2O4/c1-15(37)39-21-7-3-17(4-8-21)27-23-11-19(31)13-25(33)29(23)36-28(18-5-9-22(10-6-18)40-16(2)38)24-12-20(32)14-26(34)30(24)35-27/h3-14H,1-2H3/b27-23-,28-24-,35-27?,35-30?,36-28?,36-29?