2,6-dimethylnon-1-en-3-yn-5-yl 2-chloranylbenzoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2-chloranylbenzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C18H21ClO2 MolecularWeight: 304.81114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClO2/c1-5-8-14(4)17(12-11-13(2)3)21-18(20)15-9-6-7-10-16(15)19/h6-7,9-10,14,17H,2,5,8H2,1,3-4H3