methyl 2,2-dimethyl-3-oxidanyl-3-(2-pent-1-ynylphenyl)propanoate

Systemtic Name: methyl 2,2-dimethyl-3-oxidanyl-3-(2-pent-1-ynylphenyl)propanoate Openeye Name: methyl 3-hydroxy-2,2-dimethyl-3-(2-pent-1-ynylphenyl)propanoate CAS Name: 3-hydroxy-2,2-dimethyl-3-(2-pent-1-ynylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2,2-dimethyl-3-(2-pent-1-ynylphenyl)propanoate Traditional Name: 3-hydroxy-2,2-dimethyl-3-(2-pent-1-ynylphenyl)propionic acid methyl ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC=CC=C1C(C(C)(C)C(=O)OC)O

Isomeric SMILES

CCCC#CC1=CC=CC=C1C(C(C)(C)C(=O)OC)O

InChI

InChI=1S/C17H22O3/c1-5-6-7-10-13-11-8-9-12-14(13)15(18)17(2,3)16(19)20-4/h8-9,11-12,15,18H,5-6H2,1-4H3