4-ethylhexan-2-yl 4-(3-oxidanylprop-1-ynyl)benzoate

Systemtic Name: 4-ethylhexan-2-yl 4-(3-oxidanylprop-1-ynyl)benzoate Openeye Name: (3-ethyl-1-methyl-pentyl) 4-(3-hydroxyprop-1-ynyl)benzoate CAS Name: 4-(3-hydroxyprop-1-ynyl)benzoic acid 4-ethylhexan-2-yl ester IUPAC Name: 4-ethylhexan-2-yl 4-(3-hydroxyprop-1-ynyl)benzoate Traditional Name: 4-(3-hydroxyprop-1-ynyl)benzoic acid (3-ethyl-1-methyl-pentyl) ester Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O3/c1-4-15(5-2)13-14(3)21-18(20)17-10-8-16(9-11-17)7-6-12-19/h8-11,14-15,19H,4-5,12-13H2,1-3H3