2-methyloct-5-yn-4-yl 2-chloranylbenzoate

Systemtic Name: 2-methyloct-5-yn-4-yl 2-chloranylbenzoate Openeye Name: 1-isobutylpent-2-ynyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid 1-isobutylpent-2-ynyl ester Formula: C16H19ClO2 MolecularWeight: 278.77386

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(CC(C)C)OC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CCC#CC(CC(C)C)OC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C16H19ClO2/c1-4-5-8-13(11-12(2)3)19-16(18)14-9-6-7-10-15(14)17/h6-7,9-10,12-13H,4,11H2,1-3H3