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

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

Systemtic Name:butyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)xanthen-9-yl]benzoate
Openeye Name:butyl 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 butyl ester
IUPAC Name:butyl 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 butyl ester
Formula: C24H20Br2N2O3
MolecularWeight: 544.2352
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C24H20Br2N2O3/c1-2-3-12-30-24(29)14-7-5-4-6-13(14)19-15-8-10-17(27)20(25)22(15)31-23-16(19)9-11-18(28)21(23)26/h4-11,27H,2-3,12,28H2,1H3


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