methyl 2-hept-5-ynyl-4,5-bis(hydroxymethyl)benzoate

Systemtic Name: methyl 2-hept-5-ynyl-4,5-bis(hydroxymethyl)benzoate Openeye Name: methyl 2-hept-5-ynyl-4,5-bis(hydroxymethyl)benzoate CAS Name: 2-hept-5-ynyl-4,5-bis(hydroxymethyl)benzoic acid methyl ester IUPAC Name: methyl 2-hept-5-ynyl-4,5-bis(hydroxymethyl)benzoate Traditional Name: 2-hept-5-ynyl-4,5-dimethylol-benzoic acid methyl ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCCCC1=CC(=C(C=C1C(=O)OC)CO)CO

Isomeric SMILES

CC#CCCCCC1=CC(=C(C=C1C(=O)OC)CO)CO

InChI

InChI=1S/C17H22O4/c1-3-4-5-6-7-8-13-9-14(11-18)15(12-19)10-16(13)17(20)21-2/h9-10,18-19H,5-8,11-12H2,1-2H3