Molecule Identification Common Name 4,4',5,5',6'-pentahydroxy-10,10'-dioxo-2'-[(sulfooxy)methyl]-9H,9'H,10H,10'H-[9,9'-bianthracene]-2-carboxylic acid Definition Based on a literature review very few articles have been published on 4,4',5,5',6'-pentahydroxy-10,10'-dioxo-2'-[(sulfooxy)methyl]-9H,9'H,10H,10'H-[9,9'-bianthracene]-2-carboxylic acid. Structure OC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(COS(O)(=O)=O)C=C2O InChI=1S/C30H20O13S/c31-17-3-1-2-13-21(16-8-12(30(38)39)9-20(34)25(16)28(36)23(13)17)22-14-4-5-18(32)27(35)26(14)29(37)24-15(22)6-11(7-19(24)33)10-43-44(40,41)42/h1-9,21-22,31-35H,10H2,(H,38,39)(H,40,41,42) Synonyms Value Source 4,4',5,5',6'-Pentahydroxy-10,10'-dioxo-2'-[(sulfooxy)methyl]-9H,9'H,10H,10'H-[9,9'-bianthracene]-2-carboxylate Generator 4,4',5,5',6'-Pentahydroxy-10,10'-dioxo-2'-[(sulphooxy)methyl]-9H,9'H,10H,10'H-[9,9'-bianthracene]-2-carboxylate Generator 4,4',5,5',6'-Pentahydroxy-10,10'-dioxo-2'-[(sulphooxy)methyl]-9H,9'H,10H,10'H-[9,9'-bianthracene]-2-carboxylic acid Generator
Chemical Formula C30 H20 O13 S Average Molecular Weight 620.54 Monoisotopic Molecular Weight 620.062461878 IUPAC Name 4,4',5,5',6'-pentahydroxy-10,10'-dioxo-2'-[(sulfooxy)methyl]-9H,9'H,10H,10'H-[9,9'-bianthracene]-2-carboxylic acid Traditional Name 4,4',5,5',6'-pentahydroxy-10,10'-dioxo-2'-[(sulfooxy)methyl]-9H,9'H-[9,9'-bianthracene]-2-carboxylic acid CAS Registry Number Not Available SMILES OC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=C(O)C=C2)C(=O)C2=C1C=C(COS(O)(=O)=O)C=C2O
InChI Identifier InChI=1S/C30H20O13S/c31-17-3-1-2-13-21(16-8-12(30(38)39)9-20(34)25(16)28(36)23(13)17)22-14-4-5-18(32)27(35)26(14)29(37)24-15(22)6-11(7-19(24)33)10-43-44(40,41)42/h1-9,21-22,31-35H,10H2,(H,38,39)(H,40,41,42)
InChI Key YWDXNMVRLDHRHV-UHFFFAOYSA-N 
