3-tert-butyl-N-(methylsulfanylmethyl)-4-oxidanyl-benzamide; decanoic acid

Systemtic Name: 3-tert-butyl-N-(methylsulfanylmethyl)-4-oxidanyl-benzamide; decanoic acid Openeye Name: 3-tert-butyl-4-hydroxy-N-(methylsulfanylmethyl)benzamide; decanoic acid CAS Name: 3-tert-butyl-4-hydroxy-N-[(methylthio)methyl]benzamide; decanoic acid IUPAC Name: 3-tert-butyl-4-hydroxy-N-(methylsulfanylmethyl)benzamide; decanoic acid Traditional Name: 3-tert-butyl-4-hydroxy-N-[(methylthio)methyl]benzamide; capric acid Formula: C23H39NO4S MolecularWeight: 425.62506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CC(C)(C)C1=C(C=CC(=C1)C(=O)NCSC)O

Isomeric SMILES

CCCCCCCCCC(=O)O.CC(C)(C)C1=C(C=CC(=C1)C(=O)NCSC)O

InChI

InChI=1S/C13H19NO2S.C10H20O2/c1-13(2,3)10-7-9(5-6-11(10)15)12(16)14-8-17-4;1-2-3-4-5-6-7-8-9-10(11)12/h5-7,15H,8H2,1-4H3,(H,14,16);2-9H2,1H3,(H,11,12)