2-[2-methoxy-4-(2-methylpropyl)phenyl]ethanethioic S-acid

Systemtic Name: 2-[2-methoxy-4-(2-methylpropyl)phenyl]ethanethioic S-acid Openeye Name: 2-(4-isobutyl-2-methoxy-phenyl)ethanethioic S-acid CAS Name: 2-[2-methoxy-4-(2-methylpropyl)phenyl]ethanethioic S-acid IUPAC Name: 2-[2-methoxy-4-(2-methylpropyl)phenyl]ethanethioic S-acid Traditional Name: 2-(4-isobutyl-2-methoxy-phenyl)thioacetic acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-9(2)6-10-4-5-11(8-13(14)16)12(7-10)15-3/h4-5,7,9H,6,8H2,1-3H3,(H,14,16)