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

Systemtic Name: 9-bromanyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Openeye Name: 9-bromo-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide CAS Name: 9-bromo-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide IUPAC Name: 9-bromo-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Traditional Name: 9-bromo-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Formula: C16H16Br2NO3- MolecularWeight: 430.11114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3.BrH/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;/h1-4,7,13,18-21H,5-6,8H2;1H/p-1