[(2S)-1-[(4S,5S)-2,2-dimethyl-5-prop-1-ynyl-1,3-dioxolan-4-yl]propan-2-yl] benzoate

Systemtic Name: [(2S)-1-[(4S,5S)-2,2-dimethyl-5-prop-1-ynyl-1,3-dioxolan-4-yl]propan-2-yl] benzoate Openeye Name: [(1S)-2-[(4S,5S)-2,2-dimethyl-5-prop-1-ynyl-1,3-dioxolan-4-yl]-1-methyl-ethyl] benzoate CAS Name: benzoic acid [(2S)-1-[(4S,5S)-2,2-dimethyl-5-prop-1-ynyl-1,3-dioxolan-4-yl]propan-2-yl] ester IUPAC Name: [(2S)-1-[(4S,5S)-2,2-dimethyl-5-prop-1-ynyl-1,3-dioxolan-4-yl]propan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-2-[(4S,5S)-2,2-dimethyl-5-prop-1-ynyl-1,3-dioxolan-4-yl]-1-methyl-ethyl] ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1C(OC(O1)(C)C)CC(C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC#C[C@H]1[C@@H](OC(O1)(C)C)C[C@H](C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22O4/c1-5-9-15-16(22-18(3,4)21-15)12-13(2)20-17(19)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,12H2,1-4H3/t13-,15-,16-/m0/s1