1,6,8-tris(oxidanyl)-9,10-bis(oxidanylidene)-3-propyl-anthracene-2-carboxylic acid

Systemtic Name: 1,6,8-tris(oxidanyl)-9,10-bis(oxidanylidene)-3-propyl-anthracene-2-carboxylic acid Openeye Name: 1,6,8-trihydroxy-9,10-dioxo-3-propyl-anthracene-2-carboxylic acid CAS Name: 1,6,8-trihydroxy-9,10-dioxo-3-propyl-2-anthracenecarboxylic acid IUPAC Name: 1,6,8-trihydroxy-9,10-dioxo-3-propylanthracene-2-carboxylic acid Traditional Name: 1,6,8-trihydroxy-9,10-diketo-3-propyl-anthracene-2-carboxylic acid Formula: C18H14O7 MolecularWeight: 342.29956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O)C(=O)O

InChI

InChI=1S/C18H14O7/c1-2-3-7-4-9-14(16(22)12(7)18(24)25)17(23)13-10(15(9)21)5-8(19)6-11(13)20/h4-6,19-20,22H,2-3H2,1H3,(H,24,25)