2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-(4-methoxyphenyl)-2-methyl-propanoate

Systemtic Name: 2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-(4-methoxyphenyl)-2-methyl-propanoate Openeye Name: 2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-(4-methoxyphenyl)-2-methyl-propanoate CAS Name: 2,2-dimethylpropanoic acid; 2-(4-methoxyphenyl)-2-methylpropanoic acid (4-mercaptophenyl) ester IUPAC Name: 2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-(4-methoxyphenyl)-2-methylpropanoate Traditional Name: 2,2-dimethylpropionic acid; 2-(4-methoxyphenyl)-2-methyl-propionic acid (4-mercaptophenyl) ester Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)O.CC(C)(C1=CC=C(C=C1)OC)C(=O)OC2=CC=C(C=C2)S

Isomeric SMILES

CC(C)(C)C(=O)O.CC(C)(C1=CC=C(C=C1)OC)C(=O)OC2=CC=C(C=C2)S

InChI

InChI=1S/C17H18O3S.C5H10O2/c1-17(2,12-4-6-13(19-3)7-5-12)16(18)20-14-8-10-15(21)11-9-14;1-5(2,3)4(6)7/h4-11,21H,1-3H3;1-3H3,(H,6,7)