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

Systemtic Name: 3,8-bis(oxidanyl)-9,10-bis(oxidanylidene)-1-propyl-anthracene-2-carboxylic acid Openeye Name: 3,8-dihydroxy-9,10-dioxo-1-propyl-anthracene-2-carboxylic acid CAS Name: 3,8-dihydroxy-9,10-dioxo-1-propyl-2-anthracenecarboxylic acid IUPAC Name: 3,8-dihydroxy-9,10-dioxo-1-propylanthracene-2-carboxylic acid Traditional Name: 3,8-dihydroxy-9,10-diketo-1-propyl-anthracene-2-carboxylic acid Formula: C18H14O6 MolecularWeight: 335.234054

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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

Isomeric SMILES

C[13CH2]C[13C]1=C2[13C](=C[13C](=C1[13C](=O)O)O)C(=O)[13C]3=C([13C]2=O)[13C](=C[13CH]=C3)O

InChI

InChI=1S/C18H14O6/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/h3,5-7,19-20H,2,4H2,1H3,(H,23,24)/i2+1,3+1,8+1,9+1,10+1,11+1,12+1,17+1,18+1