methyl 4-(3,5-ditert-butylphenyl)but-2-ynoate

Systemtic Name: methyl 4-(3,5-ditert-butylphenyl)but-2-ynoate Openeye Name: methyl 4-(3,5-ditert-butylphenyl)but-2-ynoate CAS Name: 4-(3,5-ditert-butylphenyl)-2-butynoic acid methyl ester IUPAC Name: methyl 4-(3,5-ditert-butylphenyl)but-2-ynoate Traditional Name: 4-(3,5-ditert-butylphenyl)but-2-ynoic acid methyl ester Formula: C19H26O2 MolecularWeight: 286.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26O2/c1-18(2,3)15-11-14(9-8-10-17(20)21-7)12-16(13-15)19(4,5)6/h11-13H,9H2,1-7H3