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

Systemtic Name: butyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)xanthen-9-yl]-6-oxidanyl-benzoate Openeye Name: butyl 2-(3-amino-4,5-dibromo-6-imino-xanthen-9-yl)-6-hydroxy-benzoate CAS Name: 2-(3-amino-4,5-dibromo-6-imino-9-xanthenyl)-6-hydroxybenzoic acid butyl ester IUPAC Name: butyl 2-(3-amino-4,5-dibromo-6-iminoxanthen-9-yl)-6-hydroxybenzoate Traditional Name: 2-(3-amino-4,5-dibromo-6-imino-xanthen-9-yl)-6-hydroxy-benzoic acid butyl ester Formula: C24H20Br2N2O4 MolecularWeight: 560.2346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC=C1O)C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC=C1O)C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br

InChI

InChI=1S/C24H20Br2N2O4/c1-2-3-11-31-24(30)19-12(5-4-6-17(19)29)18-13-7-9-15(27)20(25)22(13)32-23-14(18)8-10-16(28)21(23)26/h4-10,27,29H,2-3,11,28H2,1H3