3-(2-iodanylethanoylamino)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 3-(2-iodanylethanoylamino)-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-3-[(2-iodoacetyl)amino]benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-3-[(2-iodo-1-oxoethyl)amino]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-3-[(2-iodoacetyl)amino]benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-3-[(2-iodoacetyl)amino]benzoic acid Formula: C22H14INO6 MolecularWeight: 515.25413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NC(=O)CI)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)NC(=O)CI)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C22H14INO6/c23-10-19(27)24-16-3-1-2-15(22(28)29)21(16)20-13-6-4-11(25)8-17(13)30-18-9-12(26)5-7-14(18)20/h1-9,25H,10H2,(H,24,27)(H,28,29)