3,5-bis(2-methylheptan-2-yl)-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3,5-bis(2-methylheptan-2-yl)-2-oxidanyl-benzenesulfonic acid Openeye Name: 3,5-bis(1,1-dimethylhexyl)-2-hydroxy-benzenesulfonic acid CAS Name: 2-hydroxy-3,5-bis(2-methylheptan-2-yl)benzenesulfonic acid IUPAC Name: 2-hydroxy-3,5-bis(2-methylheptan-2-yl)benzenesulfonic acid Traditional Name: 3,5-bis(1,1-dimethylhexyl)-2-hydroxy-besylic acid Formula: C22H38O4S MolecularWeight: 398.59972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1)S(=O)(=O)O)O)C(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1)S(=O)(=O)O)O)C(C)(C)CCCCC

InChI

InChI=1S/C22H38O4S/c1-7-9-11-13-21(3,4)17-15-18(22(5,6)14-12-10-8-2)20(23)19(16-17)27(24,25)26/h15-16,23H,7-14H2,1-6H3,(H,24,25,26)