2-(2-methoxyethoxy)ethyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)xanthen-9-yl]benzoate

Systemtic Name: 2-(2-methoxyethoxy)ethyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)xanthen-9-yl]benzoate Openeye Name: 2-(2-methoxyethoxy)ethyl 2-(3-amino-4,5-dibromo-6-imino-xanthen-9-yl)benzoate CAS Name: 2-(3-amino-4,5-dibromo-6-imino-9-xanthenyl)benzoic acid 2-(2-methoxyethoxy)ethyl ester IUPAC Name: 2-(2-methoxyethoxy)ethyl 2-(3-amino-4,5-dibromo-6-iminoxanthen-9-yl)benzoate Traditional Name: 2-(3-amino-4,5-dibromo-6-imino-xanthen-9-yl)benzoic acid 2-(2-methoxyethoxy)ethyl ester Formula: C25H22Br2N2O5 MolecularWeight: 590.26058

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br

Isomeric SMILES

COCCOCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br

InChI

InChI=1S/C25H22Br2N2O5/c1-31-10-11-32-12-13-33-25(30)15-5-3-2-4-14(15)20-16-6-8-18(28)21(26)23(16)34-24-17(20)7-9-19(29)22(24)27/h2-9,28H,10-13,29H2,1H3