methyl 2-methoxy-3-methyl-5-[6-[(2-methylpropan-2-yl)oxy]-6-oxidanylidene-hex-1-ynyl]benzoate

Systemtic Name: methyl 2-methoxy-3-methyl-5-[6-[(2-methylpropan-2-yl)oxy]-6-oxidanylidene-hex-1-ynyl]benzoate Openeye Name: methyl 5-(6-tert-butoxy-6-oxo-hex-1-ynyl)-2-methoxy-3-methyl-benzoate CAS Name: 2-methoxy-3-methyl-5-[6-[(2-methylpropan-2-yl)oxy]-6-oxohex-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-3-methyl-5-[6-[(2-methylpropan-2-yl)oxy]-6-oxohex-1-ynyl]benzoate Traditional Name: 5-(6-tert-butoxy-6-keto-hex-1-ynyl)-2-methoxy-3-methyl-benzoic acid methyl ester Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C(=O)OC)C#CCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C(=O)OC)C#CCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C20H26O5/c1-14-12-15(13-16(18(14)23-5)19(22)24-6)10-8-7-9-11-17(21)25-20(2,3)4/h12-13H,7,9,11H2,1-6H3