[6-azanyl-4,5-bis(bromanyl)-9-(2-octoxycarbonylphenyl)xanthen-3-ylidene]azanium bromide

Systemtic Name: [6-azanyl-4,5-bis(bromanyl)-9-(2-octoxycarbonylphenyl)xanthen-3-ylidene]azanium bromide Openeye Name: [6-amino-4,5-dibromo-9-(2-octoxycarbonylphenyl)xanthen-3-ylidene]ammonium bromide CAS Name: [6-amino-4,5-dibromo-9-[2-[octoxy(oxo)methyl]phenyl]-3-xanthenylidene]ammonium bromide IUPAC Name: [6-amino-4,5-dibromo-9-(2-octoxycarbonylphenyl)xanthen-3-ylidene]azanium bromide Traditional Name: [6-amino-4,5-dibromo-9-(2-octoxycarbonylphenyl)xanthen-3-ylidene]ammonium bromide Formula: C28H29Br3N2O3 MolecularWeight: 681.25346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C(=C3OC4=C2C=CC(=C4Br)N)Br.[Br-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C(=C3OC4=C2C=CC(=C4Br)N)Br.[Br-]

InChI

InChI=1S/C28H28Br2N2O3.BrH/c1-2-3-4-5-6-9-16-34-28(33)18-11-8-7-10-17(18)23-19-12-14-21(31)24(29)26(19)35-27-20(23)13-15-22(32)25(27)30;/h7-8,10-15,31H,2-6,9,16,32H2,1H3;1H