methyl 2-[3,6-bis(azanyl)-4-iodanyl-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[3,6-bis(azanyl)-4-iodanyl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoate CAS Name: 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoate Traditional Name: 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoic acid methyl ester Formula: C21H17IN2O3 MolecularWeight: 472.27575

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4I)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4I)N

InChI

InChI=1S/C21H17IN2O3/c1-26-21(25)13-5-3-2-4-12(13)18-14-7-6-11(23)10-17(14)27-20-15(18)8-9-16(24)19(20)22/h2-10,18H,23-24H2,1H3