[6-azanyl-2,7-bis(bromanyl)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium

Systemtic Name: [6-azanyl-2,7-bis(bromanyl)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium Openeye Name: [6-amino-2,7-dibromo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]ammonium CAS Name: [6-amino-2,7-dibromo-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]ammonium IUPAC Name: [6-amino-2,7-dibromo-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium Traditional Name: [6-amino-2,7-dibromo-9-(2-carbomethoxyphenyl)xanthen-3-ylidene]ammonium Formula: C21H15Br2N2O3+ MolecularWeight: 503.1634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=[NH2+])C=C3OC4=CC(=C(C=C42)Br)N)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=C(C(=[NH2+])C=C3OC4=CC(=C(C=C42)Br)N)Br

InChI

InChI=1S/C21H14Br2N2O3/c1-27-21(26)11-5-3-2-4-10(11)20-12-6-14(22)16(24)8-18(12)28-19-9-17(25)15(23)7-13(19)20/h2-9,24H,25H2,1H3/p+1