5-butyl-4-methyl-2-oxidanyl-benzenecarbothioic S-acid

Systemtic Name: 5-butyl-4-methyl-2-oxidanyl-benzenecarbothioic S-acid Openeye Name: 5-butyl-2-hydroxy-4-methyl-benzenecarbothioic S-acid CAS Name: 5-butyl-2-hydroxy-4-methylbenzenecarbothioic S-acid IUPAC Name: 5-butyl-2-hydroxy-4-methylbenzenecarbothioic S-acid Traditional Name: 5-butyl-2-hydroxy-4-methyl-thiobenzoic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-3-4-5-9-7-10(12(14)15)11(13)6-8(9)2/h6-7,13H,3-5H2,1-2H3,(H,14,15)