5-(2-methylheptan-2-yl)-2-oxidanyl-3-(1-phenylethyl)benzenesulfonic acid

Systemtic Name: 5-(2-methylheptan-2-yl)-2-oxidanyl-3-(1-phenylethyl)benzenesulfonic acid Openeye Name: 5-(1,1-dimethylhexyl)-2-hydroxy-3-(1-phenylethyl)benzenesulfonic acid CAS Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-(1-phenylethyl)benzenesulfonic acid IUPAC Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-(1-phenylethyl)benzenesulfonic acid Traditional Name: 5-(1,1-dimethylhexyl)-2-hydroxy-3-(1-phenylethyl)besylic acid Formula: C22H30O4S MolecularWeight: 390.5362

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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)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H30O4S/c1-5-6-10-13-22(3,4)18-14-19(16(2)17-11-8-7-9-12-17)21(23)20(15-18)27(24,25)26/h7-9,11-12,14-16,23H,5-6,10,13H2,1-4H3,(H,24,25,26)