[2-ethoxycarbonyl-1-hex-1-ynyl-2-(3-oxidanylidenebutyl)cyclopentyl] benzoate

Systemtic Name: [2-ethoxycarbonyl-1-hex-1-ynyl-2-(3-oxidanylidenebutyl)cyclopentyl] benzoate Openeye Name: [2-ethoxycarbonyl-1-hex-1-ynyl-2-(3-oxobutyl)cyclopentyl] benzoate CAS Name: benzoic acid [2-ethoxycarbonyl-1-hex-1-ynyl-2-(3-oxobutyl)cyclopentyl] ester IUPAC Name: [2-ethoxycarbonyl-1-hex-1-ynyl-2-(3-oxobutyl)cyclopentyl] benzoate Traditional Name: benzoic acid [2-carbethoxy-1-hex-1-ynyl-2-(3-ketobutyl)cyclopentyl] ester Formula: C25H32O5 MolecularWeight: 412.51858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1(CCCC1(CCC(=O)C)C(=O)OCC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC#CC1(CCCC1(CCC(=O)C)C(=O)OCC)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H32O5/c1-4-6-7-11-17-25(30-22(27)21-13-9-8-10-14-21)18-12-16-24(25,19-15-20(3)26)23(28)29-5-2/h8-10,13-14H,4-7,12,15-16,18-19H2,1-3H3