pent-2-ynyl 4-(6-methylheptan-2-yloxy)benzoate

Systemtic Name: pent-2-ynyl 4-(6-methylheptan-2-yloxy)benzoate Openeye Name: pent-2-ynyl 4-(1,5-dimethylhexoxy)benzoate CAS Name: 4-(6-methylheptan-2-yloxy)benzoic acid pent-2-ynyl ester IUPAC Name: pent-2-ynyl 4-(6-methylheptan-2-yloxy)benzoate Traditional Name: 4-(1,5-dimethylhexoxy)benzoic acid pent-2-ynyl ester Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC(=O)C1=CC=C(C=C1)OC(C)CCCC(C)C

Isomeric SMILES

CCC#CCOC(=O)C1=CC=C(C=C1)OC(C)CCCC(C)C

InChI

InChI=1S/C20H28O3/c1-5-6-7-15-22-20(21)18-11-13-19(14-12-18)23-17(4)10-8-9-16(2)3/h11-14,16-17H,5,8-10,15H2,1-4H3