methyl 4-dodeca-1,3-diynylbenzoate

Systemtic Name: methyl 4-dodeca-1,3-diynylbenzoate Openeye Name: methyl 4-dodeca-1,3-diynylbenzoate CAS Name: 4-dodeca-1,3-diynylbenzoic acid methyl ester IUPAC Name: methyl 4-dodeca-1,3-diynylbenzoate Traditional Name: 4-dodeca-1,3-diynylbenzoic acid methyl ester Formula: C20H24O2 MolecularWeight: 296.40336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC#CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCC#CC#CC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C20H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)20(21)22-2/h14-17H,3-9H2,1-2H3