1-[[2-bromanyl-5-(2-hydroxyethyl)-4-methyl-phenyl]amino]-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-[[2-bromanyl-5-(2-hydroxyethyl)-4-methyl-phenyl]amino]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-[2-bromo-5-(2-hydroxyethyl)-4-methyl-anilino]-4-hydroxy-anthracene-9,10-dione CAS Name: 1-[2-bromo-5-(2-hydroxyethyl)-4-methylanilino]-4-hydroxyanthracene-9,10-dione IUPAC Name: 1-[2-bromo-5-(2-hydroxyethyl)-4-methylanilino]-4-hydroxyanthracene-9,10-dione Traditional Name: 1-[2-bromo-5-(2-hydroxyethyl)-4-methyl-anilino]-4-hydroxy-9,10-anthraquinone Formula: C23H18BrNO4 MolecularWeight: 452.29732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CCO)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)Br

Isomeric SMILES

CC1=CC(=C(C=C1CCO)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)Br

InChI

InChI=1S/C23H18BrNO4/c1-12-10-16(24)18(11-13(12)8-9-26)25-17-6-7-19(27)21-20(17)22(28)14-4-2-3-5-15(14)23(21)29/h2-7,10-11,25-27H,8-9H2,1H3