6-[9,10-bis(oxidanylidene)anthracen-2-yl]-6-methyl-heptanoic acid

Systemtic Name: 6-[9,10-bis(oxidanylidene)anthracen-2-yl]-6-methyl-heptanoic acid Openeye Name: 6-(9,10-dioxo-2-anthryl)-6-methyl-heptanoic acid CAS Name: 6-(9,10-dioxo-2-anthracenyl)-6-methylheptanoic acid IUPAC Name: 6-(9,10-dioxoanthracen-2-yl)-6-methylheptanoic acid Traditional Name: 6-(9,10-diketo-2-anthryl)-6-methyl-enanthic acid Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC(=O)O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(CCCCC(=O)O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22O4/c1-22(2,12-6-5-9-19(23)24)14-10-11-17-18(13-14)21(26)16-8-4-3-7-15(16)20(17)25/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,23,24)