2-(2-dodecylphenyl)ethanethioic S-acid

Systemtic Name: 2-(2-dodecylphenyl)ethanethioic S-acid Openeye Name: 2-(2-dodecylphenyl)ethanethioic S-acid CAS Name: 2-(2-dodecylphenyl)ethanethioic S-acid IUPAC Name: 2-(2-dodecylphenyl)ethanethioic S-acid Traditional Name: 2-(2-laurylphenyl)thioacetic acid Formula: C20H32OS MolecularWeight: 320.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1CC(=O)S

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1CC(=O)S

InChI

InChI=1S/C20H32OS/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)17-20(21)22/h12-13,15-16H,2-11,14,17H2,1H3,(H,21,22)