3-ethanoyl-9-methoxy-4,4a,6,7,12a-pentakis(oxidanyl)-1,12-dihydrotetracene-2,5-dione

Systemtic Name: 3-ethanoyl-9-methoxy-4,4a,6,7,12a-pentakis(oxidanyl)-1,12-dihydrotetracene-2,5-dione Openeye Name: 3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-dione CAS Name: 3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-dione IUPAC Name: 3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-dione Traditional Name: 3-acetyl-4,4a,6,7,12a-pentahydroxy-9-methoxy-1,12-dihydrotetracene-2,5-quinone Formula: C21H18O9 MolecularWeight: 414.36222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2(C(=O)C3=C(CC2(CC1=O)O)C=C4C=C(C=C(C4=C3O)O)OC)O)O

Isomeric SMILES

CC(=O)C1=C(C2(C(=O)C3=C(CC2(CC1=O)O)C=C4C=C(C=C(C4=C3O)O)OC)O)O

InChI

InChI=1S/C21H18O9/c1-8(22)14-13(24)7-20(28)6-10-3-9-4-11(30-2)5-12(23)15(9)17(25)16(10)19(27)21(20,29)18(14)26/h3-5,23,25-26,28-29H,6-7H2,1-2H3