methyl 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-oxidanylidene-prop-1-ynyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-oxidanylidene-prop-1-ynyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-oxo-prop-1-ynyl]-2-hydroxy-benzoate CAS Name: 4-[3-(3-tert-butyl-4-methoxyphenyl)-3-oxoprop-1-ynyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-tert-butyl-4-methoxyphenyl)-3-oxoprop-1-ynyl]-2-hydroxybenzoate Traditional Name: 4-[3-(3-tert-butyl-4-methoxy-phenyl)-3-keto-prop-1-ynyl]-2-hydroxy-benzoic acid methyl ester Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=O)C#CC2=CC(=C(C=C2)C(=O)OC)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(=O)C#CC2=CC(=C(C=C2)C(=O)OC)O)OC

InChI

InChI=1S/C22H22O5/c1-22(2,3)17-13-15(8-11-20(17)26-4)18(23)10-7-14-6-9-16(19(24)12-14)21(25)27-5/h6,8-9,11-13,24H,1-5H3