2-(tert-butylsulfinylmethyl)-3-phenyl-propanoate

Systemtic Name: 2-(tert-butylsulfinylmethyl)-3-phenyl-propanoate Openeye Name: 2-benzyl-3-tert-butylsulfinyl-propanoate CAS Name: 2-(tert-butylsulfinylmethyl)-3-phenylpropanoate IUPAC Name: 2-benzyl-3-tert-butylsulfinylpropanoate Traditional Name: 2-benzyl-3-tert-butylsulfinyl-propionate Formula: C14H19O3S- MolecularWeight: 267.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3S/c1-14(2,3)18(17)10-12(13(15)16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,16)/p-1