3-butoxy-4-butyl-benzenecarbothioic S-acid

Systemtic Name: 3-butoxy-4-butyl-benzenecarbothioic S-acid Openeye Name: 3-butoxy-4-butyl-benzenecarbothioic S-acid CAS Name: 3-butoxy-4-butylbenzenecarbothioic S-acid IUPAC Name: 3-butoxy-4-butylbenzenecarbothioic S-acid Traditional Name: 3-butoxy-4-butyl-thiobenzoic acid Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C(=O)S)OCCCC

Isomeric SMILES

CCCCC1=C(C=C(C=C1)C(=O)S)OCCCC

InChI

InChI=1S/C15H22O2S/c1-3-5-7-12-8-9-13(15(16)18)11-14(12)17-10-6-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,16,18)