5-tert-butyl-2-methyl-3-(oxan-2-ylmethylsulfanyl)-6-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-2-methyl-3-(oxan-2-ylmethylsulfanyl)-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(tetrahydropyran-2-ylmethylsulfanyl)benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(2-oxanylmethylthio)benzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(oxan-2-ylmethylsulfanyl)benzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(tetrahydropyran-2-ylmethylthio)benzoic acid Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCC2CCCCO2

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCC2CCCCO2

InChI

InChI=1S/C18H26O4S/c1-11-14(23-10-12-7-5-6-8-22-12)9-13(18(2,3)4)16(19)15(11)17(20)21/h9,12,19H,5-8,10H2,1-4H3,(H,20,21)