2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-4-(2-iodanylethanoylamino)benzoate

Systemtic Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-4-(2-iodanylethanoylamino)benzoate Openeye Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-4-[(2-iodoacetyl)amino]benzoate CAS Name: 2-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]-4-[(2-iodo-1-oxoethyl)amino]benzoate IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-[(2-iodoacetyl)amino]benzoate Traditional Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-4-[(2-iodoacetyl)amino]benzoate Formula: C26H24IN3O4 MolecularWeight: 569.39093

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)NC(=O)CI)C(=O)[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)NC(=O)CI)C(=O)[O-]

InChI

InChI=1S/C26H24IN3O4/c1-29(2)16-6-9-19-22(12-16)34-23-13-17(30(3)4)7-10-20(23)25(19)21-11-15(28-24(31)14-27)5-8-18(21)26(32)33/h5-13H,14H2,1-4H3,(H-,28,31,32,33)