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acridin-9-yl-[4-(8-oxidanyl-8-oxidanylidene-octyl)phenyl]azanium chloride

acridin-9-yl-[4-(8-oxidanyl-8-oxidanylidene-octyl)phenyl]azanium chloride

Systemtic Name:acridin-9-yl-[4-(8-oxidanyl-8-oxidanylidene-octyl)phenyl]azanium chloride
Openeye Name:acridin-9-yl-[4-(8-hydroxy-8-oxo-octyl)phenyl]ammonium chloride
CAS Name:9-acridinyl-[4-(8-hydroxy-8-oxooctyl)phenyl]ammonium chloride
IUPAC Name:acridin-9-yl-[4-(8-hydroxy-8-oxooctyl)phenyl]azanium chloride
Traditional Name:acridin-9-yl-[4-(8-hydroxy-8-keto-octyl)phenyl]ammonium chloride
Formula: C27H29ClN2O2
MolecularWeight: 448.98436
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=C(C=C4)CCCCCCCC(=O)O.[Cl-]


Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=C(C=C4)CCCCCCCC(=O)O.[Cl-]


InChI

InChI=1S/C27H28N2O2.ClH/c30-26(31)15-5-3-1-2-4-10-20-16-18-21(19-17-20)28-27-22-11-6-8-13-24(22)29-25-14-9-7-12-23(25)27;/h6-9,11-14,16-19H,1-5,10,15H2,(H,28,29)(H,30,31);1H


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