2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-phenylbutanoate

Systemtic Name: 2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-phenylbutanoate Openeye Name: 2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-phenylbutanoate CAS Name: 2,2-dimethylpropanoic acid; 2-phenylbutanoic acid (4-mercaptophenyl) ester IUPAC Name: 2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-phenylbutanoate Traditional Name: 2,2-dimethylpropionic acid; 2-phenylbutyric acid (4-mercaptophenyl) ester Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2S.C5H10O2/c1-2-15(12-6-4-3-5-7-12)16(17)18-13-8-10-14(19)11-9-13;1-5(2,3)4(6)7/h3-11,15,19H,2H2,1H3;1-3H3,(H,6,7)