2-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(3,5-dibromo-4-hydroxyphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(3,5-dibromo-4-hydroxyphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(3,5-dibromo-4-hydroxy-benzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H14Br3NO4 MolecularWeight: 608.07356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC(=C(C(=C4)Br)O)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC(=C(C(=C4)Br)O)Br)C(=O)O

InChI

InChI=1S/C23H14Br3NO4/c24-14-6-7-15-16(10-14)19(13-4-2-1-3-5-13)20(23(30)31)27(22(15)29)11-12-8-17(25)21(28)18(26)9-12/h1-10,28H,11H2,(H,30,31)