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

Systemtic Name: 5-(3-bromanyl-4-oxidanyl-phenyl)-9-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Openeye Name: 5-(3-bromo-4-hydroxy-phenyl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide CAS Name: 5-(3-bromo-4-hydroxyphenyl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide IUPAC Name: 5-(3-bromo-4-hydroxyphenyl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Traditional Name: 5-(3-bromo-4-hydroxy-phenyl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Formula: C16H15Br2ClNO3- MolecularWeight: 464.5562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrClNO3.BrH/c17-12-5-8(1-2-13(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