(4-butylphenyl) 1-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-butylphenyl) 1-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-butylphenyl) 1-hydroxy-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-hydroxy-9,10-dioxo-2-anthracenecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 1-hydroxy-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-hydroxy-9,10-diketo-anthracene-2-carboxylic acid (4-butylphenyl) ester Formula: C25H20O5 MolecularWeight: 400.4233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C25H20O5/c1-2-3-6-15-9-11-16(12-10-15)30-25(29)20-14-13-19-21(24(20)28)23(27)18-8-5-4-7-17(18)22(19)26/h4-5,7-14,28H,2-3,6H2,1H3