2-[(4R,6S)-2,2-dimethyl-6-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxan-4-yl]ethanoate

Systemtic Name: 2-[(4R,6S)-2,2-dimethyl-6-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxan-4-yl]ethanoate Openeye Name: 2-[(4R,6S)-2,2-dimethyl-6-(p-tolylsulfinylmethyl)-1,3-dioxan-4-yl]acetate CAS Name: 2-[(4R,6S)-2,2-dimethyl-6-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxan-4-yl]acetate IUPAC Name: 2-[(4R,6S)-2,2-dimethyl-6-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxan-4-yl]acetate Traditional Name: 2-[(4R,6S)-2,2-dimethyl-6-(p-tolylsulfinylmethyl)-1,3-dioxan-4-yl]acetate Formula: C16H21O5S- MolecularWeight: 325.39994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC2CC(OC(O2)(C)C)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)[O-]

InChI

InChI=1S/C16H22O5S/c1-11-4-6-14(7-5-11)22(19)10-13-8-12(9-15(17)18)20-16(2,3)21-13/h4-7,12-13H,8-10H2,1-3H3,(H,17,18)/p-1/t12-,13+,22?/m1/s1