ethyl 2-(4-hexyl-5-oct-1-ynyl-3-oxidanylidene-cyclohepta-1,4-dien-1-yl)ethanoate

Systemtic Name: ethyl 2-(4-hexyl-5-oct-1-ynyl-3-oxidanylidene-cyclohepta-1,4-dien-1-yl)ethanoate Openeye Name: ethyl 2-(4-hexyl-5-oct-1-ynyl-3-oxo-cyclohepta-1,4-dien-1-yl)acetate CAS Name: 2-(4-hexyl-5-oct-1-ynyl-3-oxo-1-cyclohepta-1,4-dienyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-hexyl-5-oct-1-ynyl-3-oxocyclohepta-1,4-dien-1-yl)acetate Traditional Name: 2-(4-hexyl-3-keto-5-oct-1-ynyl-cyclohepta-1,4-dien-1-yl)acetic acid ethyl ester Formula: C25H38O3 MolecularWeight: 386.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=C(C(=O)C=C(CC1)CC(=O)OCC)CCCCCC

Isomeric SMILES

CCCCCCC#CC1=C(C(=O)C=C(CC1)CC(=O)OCC)CCCCCC

InChI

InChI=1S/C25H38O3/c1-4-7-9-11-12-13-15-22-18-17-21(20-25(27)28-6-3)19-24(26)23(22)16-14-10-8-5-2/h19H,4-12,14,16-18,20H2,1-3H3