[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H20O5 MolecularWeight: 364.3912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O)C)C

InChI

InChI=1S/C22H20O5/c1-12-8-14(3)17(9-13(12)2)20(24)11-27-22(26)18-10-19(23)15-6-4-5-7-16(15)21(18)25/h4-10,23,25H,11H2,1-3H3