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

Systemtic Name: bis[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] sulfate Openeye Name: bis[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] sulfate CAS Name: sulfuric acid bis[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] ester IUPAC Name: bis[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] sulfate Traditional Name: sulfuric acid bis[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl] ester Formula: C34H36N2O4S MolecularWeight: 568.72564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCOS(=O)(=O)OCCCN4C5=CC=CC=C5CCC6=CC=CC=C64

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCOS(=O)(=O)OCCCN4C5=CC=CC=C5CCC6=CC=CC=C64

InChI

InChI=1S/C34H36N2O4S/c37-41(38,39-25-9-23-35-31-15-5-1-11-27(31)19-20-28-12-2-6-16-32(28)35)40-26-10-24-36-33-17-7-3-13-29(33)21-22-30-14-4-8-18-34(30)36/h1-8,11-18H,9-10,19-26H2