1-azanyl-2-bromanyl-4-[3-(2-hydroxyethylsulfonyl)phenyl]sulfanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-bromanyl-4-[3-(2-hydroxyethylsulfonyl)phenyl]sulfanyl-anthracene-9,10-dione Openeye Name: 1-amino-2-bromo-4-[3-(2-hydroxyethylsulfonyl)phenyl]sulfanyl-anthracene-9,10-dione CAS Name: 1-amino-2-bromo-4-[[3-(2-hydroxyethylsulfonyl)phenyl]thio]anthracene-9,10-dione IUPAC Name: 1-amino-2-bromo-4-[3-(2-hydroxyethylsulfonyl)phenyl]sulfanylanthracene-9,10-dione Traditional Name: 1-amino-2-bromo-4-[[3-(2-hydroxyethylsulfonyl)phenyl]thio]-9,10-anthraquinone Formula: C22H16BrNO5S2 MolecularWeight: 518.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=CC(=CC=C4)S(=O)(=O)CCO)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=CC(=CC=C4)S(=O)(=O)CCO)Br)N

InChI

InChI=1S/C22H16BrNO5S2/c23-16-11-17(30-12-4-3-5-13(10-12)31(28,29)9-8-25)18-19(20(16)24)22(27)15-7-2-1-6-14(15)21(18)26/h1-7,10-11,25H,8-9,24H2