5-butan-2-yl-3-methylsulfonyl-2-oxidanyl-benzaldehyde

Systemtic Name: 5-butan-2-yl-3-methylsulfonyl-2-oxidanyl-benzaldehyde Openeye Name: 2-hydroxy-3-methylsulfonyl-5-sec-butyl-benzaldehyde CAS Name: 5-butan-2-yl-2-hydroxy-3-methylsulfonylbenzaldehyde IUPAC Name: 5-butan-2-yl-2-hydroxy-3-methylsulfonylbenzaldehyde Traditional Name: 2-hydroxy-3-mesyl-5-sec-butyl-benzaldehyde Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-4-8(2)9-5-10(7-13)12(14)11(6-9)17(3,15)16/h5-8,14H,4H2,1-3H3