1-(2,2-dimethyl-1,3-dioxolan-4-yl)non-3-yn-5-yl benzoate

Systemtic Name: 1-(2,2-dimethyl-1,3-dioxolan-4-yl)non-3-yn-5-yl benzoate Openeye Name: [1-butyl-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-ynyl] benzoate CAS Name: benzoic acid 1-(2,2-dimethyl-1,3-dioxolan-4-yl)non-3-yn-5-yl ester IUPAC Name: 1-(2,2-dimethyl-1,3-dioxolan-4-yl)non-3-yn-5-yl benzoate Traditional Name: benzoic acid [1-butyl-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-2-ynyl] ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#CCCC1COC(O1)(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C#CCCC1COC(O1)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28O4/c1-4-5-13-18(24-20(22)17-11-7-6-8-12-17)14-9-10-15-19-16-23-21(2,3)25-19/h6-8,11-12,18-19H,4-5,10,13,15-16H2,1-3H3