[1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxidanyl-but-2-ynyl] benzoate

Systemtic Name: [1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxidanyl-but-2-ynyl] benzoate Openeye Name: [1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-but-2-ynyl] benzoate CAS Name: benzoic acid [1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybut-2-ynyl] ester IUPAC Name: [1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybut-2-ynyl] benzoate Traditional Name: benzoic acid [1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-but-2-ynyl] ester Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(C#CCO)OC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(OC[C@@H](O1)C(C#CCO)OC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H18O5/c1-16(2)19-11-14(21-16)13(9-6-10-17)20-15(18)12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,10-11H2,1-2H3/t13?,14-/m1/s1