2-[(4-methoxyphenyl)methyl]-4-sulfanyl-butanethioate

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-4-sulfanyl-butanethioate Openeye Name: 2-[(4-methoxyphenyl)methyl]-4-sulfanyl-butanethioate CAS Name: 4-mercapto-2-[(4-methoxyphenyl)methyl]butanethioate IUPAC Name: 2-[(4-methoxyphenyl)methyl]-4-sulfanylbutanethioate Traditional Name: 4-mercapto-2-p-anisyl-thiobutyrate Formula: C12H15O2S2- MolecularWeight: 255.3763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CCS)C(=S)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(CCS)C(=S)[O-]

InChI

InChI=1S/C12H16O2S2/c1-14-11-4-2-9(3-5-11)8-10(6-7-15)12(13)16/h2-5,10,15H,6-8H2,1H3,(H,13,16)/p-1