3-[4-(carboxymethyloxy)phenyl]-2-methyl-propanethioate

Systemtic Name: 3-[4-(carboxymethyloxy)phenyl]-2-methyl-propanethioate Openeye Name: 3-[4-(carboxymethyloxy)phenyl]-2-methyl-propanethioate CAS Name: 3-[4-(carboxymethyloxy)phenyl]-2-methylpropanethioate IUPAC Name: 3-[4-(carboxymethyloxy)phenyl]-2-methylpropanethioate Traditional Name: 3-[4-(carboxymethyloxy)phenyl]-2-methyl-thiopropionate Formula: C12H13O4S- MolecularWeight: 253.29422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-8(12(15)17)6-9-2-4-10(5-3-9)16-7-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,17)/p-1