methyl 2-[3-azanyl-6-azanylidene-2,4,5,7-tetrakis(bromanyl)xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[3-azanyl-6-azanylidene-2,4,5,7-tetrakis(bromanyl)xanthen-9-yl]benzoate Openeye Name: methyl 2-(3-amino-2,4,5,7-tetrabromo-6-imino-xanthen-9-yl)benzoate CAS Name: 2-(3-amino-2,4,5,7-tetrabromo-6-imino-9-xanthenyl)benzoic acid methyl ester IUPAC Name: methyl 2-(3-amino-2,4,5,7-tetrabromo-6-iminoxanthen-9-yl)benzoate Traditional Name: 2-(3-amino-2,4,5,7-tetrabromo-6-imino-xanthen-9-yl)benzoic acid methyl ester Formula: C21H12Br4N2O3 MolecularWeight: 659.94758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=N)C(=C3OC4=C(C(=C(C=C24)Br)N)Br)Br)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=N)C(=C3OC4=C(C(=C(C=C24)Br)N)Br)Br)Br

InChI

InChI=1S/C21H12Br4N2O3/c1-29-21(28)9-5-3-2-4-8(9)14-10-6-12(22)17(26)15(24)19(10)30-20-11(14)7-13(23)18(27)16(20)25/h2-7,26H,27H2,1H3