methyl 2-[1-(3-methylbutanoyloxy)hexa-2,4-diynyl]-6-oxidanyl-benzoate

Systemtic Name: methyl 2-[1-(3-methylbutanoyloxy)hexa-2,4-diynyl]-6-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-6-[1-(3-methylbutanoyloxy)hexa-2,4-diynyl]benzoate CAS Name: 2-hydroxy-6-[1-(3-methyl-1-oxobutoxy)hexa-2,4-diynyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-6-[1-(3-methylbutanoyloxy)hexa-2,4-diynyl]benzoate Traditional Name: 2-hydroxy-6-(1-isovaleryloxyhexa-2,4-diynyl)benzoic acid methyl ester Formula: C19H20O5 MolecularWeight: 328.3591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O5/c1-5-6-7-11-16(24-17(21)12-13(2)3)14-9-8-10-15(20)18(14)19(22)23-4/h8-10,13,16,20H,12H2,1-4H3