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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O6S/c1-4-14(2)15(3)10-11-27-19-13-18(22)17(12-20(19)28(24,25)26)21(23)16-8-6-5-7-9-16/h5-9,12-15,22H,4,10-11H2,1-3H3,(H,24,25,26)