2-octylbenzenecarbothioic S-acid

Systemtic Name: 2-octylbenzenecarbothioic S-acid Openeye Name: 2-octylbenzenecarbothioic S-acid CAS Name: 2-octylbenzenecarbothioic S-acid IUPAC Name: 2-octylbenzenecarbothioic S-acid Traditional Name: 2-octylthiobenzoic acid Formula: C15H22OS MolecularWeight: 250.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C(=O)S

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C(=O)S

InChI

InChI=1S/C15H22OS/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15(16)17/h8-9,11-12H,2-7,10H2,1H3,(H,16,17)