5-tert-butyl-3-(chloromethylsulfonyl)-2-oxidanyl-benzaldehyde

Systemtic Name: 5-tert-butyl-3-(chloromethylsulfonyl)-2-oxidanyl-benzaldehyde Openeye Name: 5-tert-butyl-3-(chloromethylsulfonyl)-2-hydroxy-benzaldehyde CAS Name: 5-tert-butyl-3-(chloromethylsulfonyl)-2-hydroxybenzaldehyde IUPAC Name: 5-tert-butyl-3-(chloromethylsulfonyl)-2-hydroxybenzaldehyde Traditional Name: 5-tert-butyl-3-(chloromethylsulfonyl)-2-hydroxy-benzaldehyde Formula: C12H15ClO4S MolecularWeight: 290.7631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO4S/c1-12(2,3)9-4-8(6-14)11(15)10(5-9)18(16,17)7-13/h4-6,15H,7H2,1-3H3