anthracene-9,10-dione; 3,8-bis(oxidanyl)-9,10-bis(oxidanylidene)-1-propyl-anthracene-2-carboxylic acid

Systemtic Name: anthracene-9,10-dione; 3,8-bis(oxidanyl)-9,10-bis(oxidanylidene)-1-propyl-anthracene-2-carboxylic acid Openeye Name: anthracene-9,10-dione; 3,8-dihydroxy-9,10-dioxo-1-propyl-anthracene-2-carboxylic acid CAS Name: anthracene-9,10-dione; 3,8-dihydroxy-9,10-dioxo-1-propyl-2-anthracenecarboxylic acid IUPAC Name: anthracene-9,10-dione; 3,8-dihydroxy-9,10-dioxo-1-propylanthracene-2-carboxylic acid Traditional Name: 9,10-anthraquinone; 3,8-dihydroxy-9,10-diketo-1-propyl-anthracene-2-carboxylic acid Formula: C32H22O8 MolecularWeight: 534.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC=C3)O.C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC=C3)O.C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H14O6.C14H8O2/c1-2-4-8-13-10(7-12(20)15(8)18(23)24)16(21)9-5-3-6-11(19)14(9)17(13)22;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h3,5-7,19-20H,2,4H2,1H3,(H,23,24);1-8H