1,4-bis(oxidanyl)-2-(4-oxidanyl-1-sulfanyl-butan-2-yl)anthracene-9,10-dione

Systemtic Name: 1,4-bis(oxidanyl)-2-(4-oxidanyl-1-sulfanyl-butan-2-yl)anthracene-9,10-dione Openeye Name: 1,4-dihydroxy-2-[3-hydroxy-1-(sulfanylmethyl)propyl]anthracene-9,10-dione CAS Name: 1,4-dihydroxy-2-(4-hydroxy-1-mercaptobutan-2-yl)anthracene-9,10-dione IUPAC Name: 1,4-dihydroxy-2-(4-hydroxy-1-sulfanylbutan-2-yl)anthracene-9,10-dione Traditional Name: 1,4-dihydroxy-2-[3-hydroxy-1-(mercaptomethyl)propyl]-9,10-anthraquinone Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)C(CCO)CS)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)C(CCO)CS)O

InChI

InChI=1S/C18H16O5S/c19-6-5-9(8-24)12-7-13(20)14-15(18(12)23)17(22)11-4-2-1-3-10(11)16(14)21/h1-4,7,9,19-20,23-24H,5-6,8H2