[6-azanyl-9-(2-butoxycarbonylphenyl)-5,6-dihydroxanthen-3-ylidene]azanium chloride

Systemtic Name: [6-azanyl-9-(2-butoxycarbonylphenyl)-5,6-dihydroxanthen-3-ylidene]azanium chloride Openeye Name: [6-amino-9-(2-butoxycarbonylphenyl)-5,6-dihydroxanthen-3-ylidene]ammonium chloride CAS Name: [6-amino-9-[2-[butoxy(oxo)methyl]phenyl]-5,6-dihydroxanthen-3-ylidene]ammonium chloride IUPAC Name: [6-amino-9-(2-butoxycarbonylphenyl)-5,6-dihydroxanthen-3-ylidene]azanium chloride Traditional Name: [6-amino-9-(2-butoxycarbonylphenyl)-5,6-dihydroxanthen-3-ylidene]ammonium chloride Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(C4)N.[Cl-]

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(C4)N.[Cl-]

InChI

InChI=1S/C24H24N2O3.ClH/c1-2-3-12-28-24(27)18-7-5-4-6-17(18)23-19-10-8-15(25)13-21(19)29-22-14-16(26)9-11-20(22)23;/h4-11,13,16,25H,2-3,12,14,26H2,1H3;1H