9-chloranyl-5-(4-chloranyl-3-oxidanyl-phenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide

Systemtic Name: 9-chloranyl-5-(4-chloranyl-3-oxidanyl-phenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Openeye Name: 9-chloro-5-(4-chloro-3-hydroxy-phenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-5-(4-chloro-3-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-5-(4-chloro-3-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Traditional Name: 9-chloro-5-(4-chloro-3-hydroxy-phenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Formula: C16H15BrCl2NO3- MolecularWeight: 420.1052

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC(=C(C=C3)Cl)O.[Br-]

Isomeric SMILES

C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC(=C(C=C3)Cl)O.[Br-]

InChI

InChI=1S/C16H15Cl2NO3.BrH/c17-12-2-1-8(5-13(12)20)11-7-19-4-3-9-10(11)6-14(21)16(22)15(9)18;/h1-2,5-6,11,19-22H,3-4,7H2;1H/p-1