1-azanyl-2-bromanyl-4-[2-(2-hydroxyethylsulfonyl)-6-oxidanyl-phenyl]sulfanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-bromanyl-4-[2-(2-hydroxyethylsulfonyl)-6-oxidanyl-phenyl]sulfanyl-anthracene-9,10-dione Openeye Name: 1-amino-2-bromo-4-[2-hydroxy-6-(2-hydroxyethylsulfonyl)phenyl]sulfanyl-anthracene-9,10-dione CAS Name: 1-amino-2-bromo-4-[[2-hydroxy-6-(2-hydroxyethylsulfonyl)phenyl]thio]anthracene-9,10-dione IUPAC Name: 1-amino-2-bromo-4-[2-hydroxy-6-(2-hydroxyethylsulfonyl)phenyl]sulfanylanthracene-9,10-dione Traditional Name: 1-amino-2-bromo-4-[[2-hydroxy-6-(2-hydroxyethylsulfonyl)phenyl]thio]-9,10-anthraquinone Formula: C22H16BrNO6S2 MolecularWeight: 534.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=C(C=CC=C4S(=O)(=O)CCO)O)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=C(C=CC=C4S(=O)(=O)CCO)O)Br)N

InChI

InChI=1S/C22H16BrNO6S2/c23-13-10-15(31-22-14(26)6-3-7-16(22)32(29,30)9-8-25)17-18(19(13)24)21(28)12-5-2-1-4-11(12)20(17)27/h1-7,10,25-26H,8-9,24H2