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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)CCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)C(C)CCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

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