1-azanyl-4-[[3-(dimethylaminomethyl)phenyl]amino]anthracene-9,10-dione; sulfuric acid

Systemtic Name: 1-azanyl-4-[[3-(dimethylaminomethyl)phenyl]amino]anthracene-9,10-dione; sulfuric acid Openeye Name: 1-amino-4-[3-(dimethylaminomethyl)anilino]anthracene-9,10-dione; sulfuric acid CAS Name: 1-amino-4-[3-(dimethylaminomethyl)anilino]anthracene-9,10-dione; sulfuric acid IUPAC Name: 1-amino-4-[3-(dimethylaminomethyl)anilino]anthracene-9,10-dione; sulfuric acid Traditional Name: 1-amino-4-[3-(dimethylaminomethyl)anilino]-9,10-anthraquinone; sulfuric acid Formula: C46H44N6O8S MolecularWeight: 840.94196

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O.CN(C)CC1=CC(=CC=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O.OS(=O)(=O)O

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O.CN(C)CC1=CC(=CC=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O.OS(=O)(=O)O

InChI

InChI=1S/2C23H21N3O2.H2O4S/c2*1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27;1-5(2,3)4/h2*3-12,25H,13,24H2,1-2H3;(H2,1,2,3,4)