methyl 2-(1,3-dioxan-2-ylmethyl)-3-methyl-benzoate

Systemtic Name: methyl 2-(1,3-dioxan-2-ylmethyl)-3-methyl-benzoate Openeye Name: methyl 2-(1,3-dioxan-2-ylmethyl)-3-methyl-benzoate CAS Name: 2-(1,3-dioxan-2-ylmethyl)-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-(1,3-dioxan-2-ylmethyl)-3-methylbenzoate Traditional Name: 2-(1,3-dioxan-2-ylmethyl)-3-methyl-benzoic acid methyl ester Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1CC2OCCCO2)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1CC2OCCCO2)C(=O)OC

InChI

InChI=1S/C14H18O4/c1-10-5-3-6-11(14(15)16-2)12(10)9-13-17-7-4-8-18-13/h3,5-6,13H,4,7-9H2,1-2H3