[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

InChI

InChI=1S/C22H20O5/c1-13(2)14-7-9-15(10-8-14)20(24)12-27-22(26)18-11-19(23)16-5-3-4-6-17(16)21(18)25/h3-11,13,23,25H,12H2,1-2H3