2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]propanethioic S-acid

Systemtic Name: 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]propanethioic S-acid Openeye Name: 3-[4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-2-methyl-propanethioic S-acid CAS Name: 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanethioic S-acid IUPAC Name: 2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanethioic S-acid Traditional Name: 3-[4-(2-tert-butoxy-2-keto-ethoxy)phenyl]-2-methyl-thiopropionic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCC(=O)OC(C)(C)C)C(=O)S

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCC(=O)OC(C)(C)C)C(=O)S

InChI

InChI=1S/C16H22O4S/c1-11(15(18)21)9-12-5-7-13(8-6-12)19-10-14(17)20-16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,18,21)