1,5-bis(azanyl)-2-(3-methyl-4-oxidanyl-phenyl)-4,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1,5-bis(azanyl)-2-(3-methyl-4-oxidanyl-phenyl)-4,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,5-diamino-4,8-dihydroxy-2-(4-hydroxy-3-methyl-phenyl)anthracene-9,10-dione CAS Name: 1,5-diamino-4,8-dihydroxy-2-(4-hydroxy-3-methylphenyl)anthracene-9,10-dione IUPAC Name: 1,5-diamino-4,8-dihydroxy-2-(4-hydroxy-3-methylphenyl)anthracene-9,10-dione Traditional Name: 1,5-diamino-4,8-dihydroxy-2-(4-hydroxy-3-methyl-phenyl)-9,10-anthraquinone Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O)O

InChI

InChI=1S/C21H16N2O5/c1-8-6-9(2-4-12(8)24)10-7-14(26)17-18(19(10)23)21(28)16-13(25)5-3-11(22)15(16)20(17)27/h2-7,24-26H,22-23H2,1H3