bis[3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] sulfate

Systemtic Name: bis[3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] sulfate Openeye Name: bis[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] sulfate CAS Name: sulfuric acid bis[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] ester IUPAC Name: bis[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] sulfate Traditional Name: sulfuric acid bis[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] ester Formula: C34H34Cl2N2O4S MolecularWeight: 637.61576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCOS(=O)(=O)OCCCN4C5=CC=CC=C5CCC6=C4C=C(C=C6)Cl

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCOS(=O)(=O)OCCCN4C5=CC=CC=C5CCC6=C4C=C(C=C6)Cl

InChI

InChI=1S/C34H34Cl2N2O4S/c35-29-17-15-27-13-11-25-7-1-3-9-31(25)37(33(27)23-29)19-5-21-41-43(39,40)42-22-6-20-38-32-10-4-2-8-26(32)12-14-28-16-18-30(36)24-34(28)38/h1-4,7-10,15-18,23-24H,5-6,11-14,19-22H2