methyl 2-[4-[(2,2-dimethyl-1,3-dioxan-5-yl)sulfinylmethyl]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(2,2-dimethyl-1,3-dioxan-5-yl)sulfinylmethyl]phenyl]ethanoate Openeye Name: methyl 2-[4-[(2,2-dimethyl-1,3-dioxan-5-yl)sulfinylmethyl]phenyl]acetate CAS Name: 2-[4-[(2,2-dimethyl-1,3-dioxan-5-yl)sulfinylmethyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(2,2-dimethyl-1,3-dioxan-5-yl)sulfinylmethyl]phenyl]acetate Traditional Name: 2-[4-[(2,2-dimethyl-1,3-dioxan-5-yl)sulfinylmethyl]phenyl]acetic acid methyl ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)S(=O)CC2=CC=C(C=C2)CC(=O)OC)C

Isomeric SMILES

CC1(OCC(CO1)S(=O)CC2=CC=C(C=C2)CC(=O)OC)C

InChI

InChI=1S/C16H22O5S/c1-16(2)20-9-14(10-21-16)22(18)11-13-6-4-12(5-7-13)8-15(17)19-3/h4-7,14H,8-11H2,1-3H3