2-[[1-(4-chlorophenyl)-3-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)-3-oxidanylidene-propyl]amino]anthracene-9,10-dione

Systemtic Name: 2-[[1-(4-chlorophenyl)-3-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)-3-oxidanylidene-propyl]amino]anthracene-9,10-dione Openeye Name: 2-[[1-(4-chlorophenyl)-3-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-3-oxo-propyl]amino]anthracene-9,10-dione CAS Name: 2-[[1-(4-chlorophenyl)-3-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-3-oxopropyl]amino]anthracene-9,10-dione IUPAC Name: 2-[[1-(4-chlorophenyl)-3-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-3-oxopropyl]amino]anthracene-9,10-dione Traditional Name: 2-[[1-(4-chlorophenyl)-3-(2-hydroxy-4-keto-1-methyl-3H-quinolin-1-ium-3-yl)-3-keto-propyl]amino]-9,10-anthraquinone Formula: C33H24ClN2O5+ MolecularWeight: 564.00706

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=C(C=C3)Cl)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=C(C=C3)Cl)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)O

InChI

InChI=1S/C33H23ClN2O5/c1-36-27-9-5-4-8-24(27)32(40)29(33(36)41)28(37)17-26(18-10-12-19(34)13-11-18)35-20-14-15-23-25(16-20)31(39)22-7-3-2-6-21(22)30(23)38/h2-16,26,29H,17H2,1H3,(H,35,38)/p+1