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

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

Systemtic Name:acridin-9-yl-[4-(9-oxidanyl-9-oxidanylidene-nonyl)phenyl]azanium chloride
Openeye Name:acridin-9-yl-[4-(9-hydroxy-9-oxo-nonyl)phenyl]ammonium chloride
CAS Name:9-acridinyl-[4-(9-hydroxy-9-oxononyl)phenyl]ammonium chloride
IUPAC Name:acridin-9-yl-[4-(9-hydroxy-9-oxononyl)phenyl]azanium chloride
Traditional Name:acridin-9-yl-[4-(9-hydroxy-9-keto-nonyl)phenyl]ammonium chloride
Formula: C28H31ClN2O2
MolecularWeight: 463.01094
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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)CCCCCCCCC(=O)O.[Cl-]


Isomeric SMILES

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


InChI

InChI=1S/C28H30N2O2.ClH/c31-27(32)16-6-4-2-1-3-5-11-21-17-19-22(20-18-21)29-28-23-12-7-9-14-25(23)30-26-15-10-8-13-24(26)28;/h7-10,12-15,17-20H,1-6,11,16H2,(H,29,30)(H,31,32);1H


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