4-octylbenzenecarbothioic S-acid

Systemtic Name: 4-octylbenzenecarbothioic S-acid Openeye Name: 4-octylbenzenecarbothioic S-acid CAS Name: 4-octylbenzenecarbothioic S-acid IUPAC Name: 4-octylbenzenecarbothioic S-acid Traditional Name: 4-octylthiobenzoic acid Formula: C15H22OS MolecularWeight: 250.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)S

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)S

InChI

InChI=1S/C15H22OS/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)