ethyl 3,4-bis(hex-1-ynyl)benzoate

Systemtic Name: ethyl 3,4-bis(hex-1-ynyl)benzoate Openeye Name: ethyl 3,4-bis(hex-1-ynyl)benzoate CAS Name: 3,4-bis(hex-1-ynyl)benzoic acid ethyl ester IUPAC Name: ethyl 3,4-bis(hex-1-ynyl)benzoate Traditional Name: 3,4-bis(hex-1-ynyl)benzoic acid ethyl ester Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=C(C=C1)C(=O)OCC)C#CCCCC

Isomeric SMILES

CCCCC#CC1=C(C=C(C=C1)C(=O)OCC)C#CCCCC

InChI

InChI=1S/C21H26O2/c1-4-7-9-11-13-18-15-16-20(21(22)23-6-3)17-19(18)14-12-10-8-5-2/h15-17H,4-10H2,1-3H3