5-(2-methylbutan-2-yl)-3-methylsulfonyl-2-oxidanyl-benzaldehyde

Systemtic Name: 5-(2-methylbutan-2-yl)-3-methylsulfonyl-2-oxidanyl-benzaldehyde Openeye Name: 5-(1,1-dimethylpropyl)-2-hydroxy-3-methylsulfonyl-benzaldehyde CAS Name: 2-hydroxy-5-(2-methylbutan-2-yl)-3-methylsulfonylbenzaldehyde IUPAC Name: 2-hydroxy-5-(2-methylbutan-2-yl)-3-methylsulfonylbenzaldehyde Traditional Name: 5-tert-amyl-2-hydroxy-3-mesyl-benzaldehyde Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-5-13(2,3)10-6-9(8-14)12(15)11(7-10)18(4,16)17/h6-8,15H,5H2,1-4H3