3-[4-(4-tert-butylphenyl)phenyl]sulfanylpropanoate

Systemtic Name: 3-[4-(4-tert-butylphenyl)phenyl]sulfanylpropanoate Openeye Name: 3-[4-(4-tert-butylphenyl)phenyl]sulfanylpropanoate CAS Name: 3-[[4-(4-tert-butylphenyl)phenyl]thio]propanoate IUPAC Name: 3-[4-(4-tert-butylphenyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[4-(4-tert-butylphenyl)phenyl]thio]propionate Formula: C19H21O2S- MolecularWeight: 313.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)SCCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)SCCC(=O)[O-]

InChI

InChI=1S/C19H22O2S/c1-19(2,3)16-8-4-14(5-9-16)15-6-10-17(11-7-15)22-13-12-18(20)21/h4-11H,12-13H2,1-3H3,(H,20,21)/p-1