2-(3,5-dimethylhexoxy)-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid

Systemtic Name: 2-(3,5-dimethylhexoxy)-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-2-(3,5-dimethylhexoxy)-4-hydroxy-benzenesulfonic acid CAS Name: 5-benzoyl-2-(3,5-dimethylhexoxy)-4-hydroxybenzenesulfonic acid IUPAC Name: 5-benzoyl-2-(3,5-dimethylhexoxy)-4-hydroxybenzenesulfonic acid Traditional Name: 5-benzoyl-2-(3,5-dimethylhexoxy)-4-hydroxy-besylic acid Formula: C21H26O6S MolecularWeight: 406.49254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)CCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)CC(C)CCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C21H26O6S/c1-14(2)11-15(3)9-10-27-19-13-18(22)17(12-20(19)28(24,25)26)21(23)16-7-5-4-6-8-16/h4-8,12-15,22H,9-11H2,1-3H3,(H,24,25,26)