3-methyloct-1-en-7-yn-3-yl benzoate

Systemtic Name: 3-methyloct-1-en-7-yn-3-yl benzoate Openeye Name: (1-methyl-1-vinyl-hex-5-ynyl) benzoate CAS Name: benzoic acid 3-methyloct-1-en-7-yn-3-yl ester IUPAC Name: 3-methyloct-1-en-7-yn-3-yl benzoate Traditional Name: benzoic acid (1-methyl-1-vinyl-hex-5-ynyl) ester Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O2/c1-4-6-10-13-16(3,5-2)18-15(17)14-11-8-7-9-12-14/h1,5,7-9,11-12H,2,6,10,13H2,3H3