4-pentylbenzenecarbothioic S-acid

Systemtic Name: 4-pentylbenzenecarbothioic S-acid Openeye Name: 4-pentylbenzenecarbothioic S-acid CAS Name: 4-pentylbenzenecarbothioic S-acid IUPAC Name: 4-pentylbenzenecarbothioic S-acid Traditional Name: 4-amylthiobenzoic acid Formula: C12H16OS MolecularWeight: 208.31984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)S

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)S

InChI

InChI=1S/C12H16OS/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)