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methyl 2-[3-azanyl-6-azanylidene-2,7-bis(iodanyl)xanthen-9-yl]benzoate

methyl 2-[3-azanyl-6-azanylidene-2,7-bis(iodanyl)xanthen-9-yl]benzoate

Systemtic Name:methyl 2-[3-azanyl-6-azanylidene-2,7-bis(iodanyl)xanthen-9-yl]benzoate
Openeye Name:methyl 2-(3-amino-6-imino-2,7-diiodo-xanthen-9-yl)benzoate
CAS Name:2-(3-amino-6-imino-2,7-diiodo-9-xanthenyl)benzoic acid methyl ester
IUPAC Name:methyl 2-(3-amino-6-imino-2,7-diiodoxanthen-9-yl)benzoate
Traditional Name:2-(3-amino-6-imino-2,7-diiodo-xanthen-9-yl)benzoic acid methyl ester
Formula: C21H14I2N2O3
MolecularWeight: 596.1564
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=N)C=C3OC4=CC(=C(C=C42)I)N)I


Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=N)C=C3OC4=CC(=C(C=C42)I)N)I


InChI

InChI=1S/C21H14I2N2O3/c1-27-21(26)11-5-3-2-4-10(11)20-12-6-14(22)16(24)8-18(12)28-19-9-17(25)15(23)7-13(19)20/h2-9,24H,25H2,1H3


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