3-[(2-carboxy-1H-indol-3-yl)-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(2-carboxy-1H-indol-3-yl)-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-hydroxy-3-iodo-5-methoxy-phenyl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-hydroxy-3-iodo-5-methoxy-phenyl)methyl]-1H-indole-2-carboxylic acid Formula: C26H19IN2O6 MolecularWeight: 582.34333

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O)I)O

InChI

InChI=1S/C26H19IN2O6/c1-35-18-11-12(10-15(27)24(18)30)19(20-13-6-2-4-8-16(13)28-22(20)25(31)32)21-14-7-3-5-9-17(14)29-23(21)26(33)34/h2-11,19,28-30H,1H3,(H,31,32)(H,33,34)