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

Systemtic Name: 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl hydrogen sulfate Openeye Name: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl hydrogen sulfate CAS Name: sulfuric acid 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl ester IUPAC Name: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl hydrogen sulfate Traditional Name: sulfuric acid 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl ester Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCOS(=O)(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCOS(=O)(=O)O

InChI

InChI=1S/C17H18ClNO4S/c18-15-9-8-14-7-6-13-4-1-2-5-16(13)19(17(14)12-15)10-3-11-23-24(20,21)22/h1-2,4-5,8-9,12H,3,6-7,10-11H2,(H,20,21,22)