2-methyloct-5-yn-4-yl 3-methylbenzoate

Systemtic Name: 2-methyloct-5-yn-4-yl 3-methylbenzoate Openeye Name: 1-isobutylpent-2-ynyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 1-isobutylpent-2-ynyl ester Formula: C17H22O2 MolecularWeight: 258.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O2/c1-5-6-10-16(11-13(2)3)19-17(18)15-9-7-8-14(4)12-15/h7-9,12-13,16H,5,11H2,1-4H3