3,5,9-tris(oxidanyl)-8-oxidanylidene-1-propyl-6,7-dihydro-5H-anthracene-2-carboxylic acid

Systemtic Name: 3,5,9-tris(oxidanyl)-8-oxidanylidene-1-propyl-6,7-dihydro-5H-anthracene-2-carboxylic acid Openeye Name: 3,5,9-trihydroxy-8-oxo-1-propyl-6,7-dihydro-5H-anthracene-2-carboxylic acid CAS Name: 3,5,9-trihydroxy-8-oxo-1-propyl-6,7-dihydro-5H-anthracene-2-carboxylic acid IUPAC Name: 3,5,9-trihydroxy-8-oxo-1-propyl-6,7-dihydro-5H-anthracene-2-carboxylic acid Traditional Name: 3,5,9-trihydroxy-8-keto-1-propyl-6,7-dihydro-5H-anthracene-2-carboxylic acid Formula: C18H18O6 MolecularWeight: 330.33192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC2=CC3=C(C(=O)CCC3O)C(=C21)O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C(=CC2=CC3=C(C(=O)CCC3O)C(=C21)O)O)C(=O)O

InChI

InChI=1S/C18H18O6/c1-2-3-9-14-8(7-13(21)16(9)18(23)24)6-10-11(19)4-5-12(20)15(10)17(14)22/h6-7,11,19,21-22H,2-5H2,1H3,(H,23,24)