3,4-bis(chloranyl)-2-(1-methyl-1-octyl-indol-1-ium-3-yl)-2H-furan-5-one

Systemtic Name: 3,4-bis(chloranyl)-2-(1-methyl-1-octyl-indol-1-ium-3-yl)-2H-furan-5-one Openeye Name: 3,4-dichloro-2-(1-methyl-1-octyl-indol-1-ium-3-yl)-2H-furan-5-one CAS Name: 3,4-dichloro-2-(1-methyl-1-octyl-3-indol-1-iumyl)-2H-furan-5-one IUPAC Name: 3,4-dichloro-2-(1-methyl-1-octylindol-1-ium-3-yl)-2H-furan-5-one Traditional Name: 3,4-dichloro-2-(1-methyl-1-octyl-indol-1-ium-3-yl)-2H-furan-5-one Formula: C21H26Cl2NO2+ MolecularWeight: 395.34264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C=C(C2=CC=CC=C21)C3C(=C(C(=O)O3)Cl)Cl)C

Isomeric SMILES

CCCCCCCC[N+]1(C=C(C2=CC=CC=C21)C3C(=C(C(=O)O3)Cl)Cl)C

InChI

InChI=1S/C21H26Cl2NO2/c1-3-4-5-6-7-10-13-24(2)14-16(15-11-8-9-12-17(15)24)20-18(22)19(23)21(25)26-20/h8-9,11-12,14,20H,3-7,10,13H2,1-2H3/q+1