5-(2-methylheptan-2-yl)-2-oxidanyl-3-(2-phenylpropan-2-yl)benzenesulfonic acid

Systemtic Name: 5-(2-methylheptan-2-yl)-2-oxidanyl-3-(2-phenylpropan-2-yl)benzenesulfonic acid Openeye Name: 5-(1,1-dimethylhexyl)-2-hydroxy-3-(1-methyl-1-phenyl-ethyl)benzenesulfonic acid CAS Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-(2-phenylpropan-2-yl)benzenesulfonic acid IUPAC Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-(2-phenylpropan-2-yl)benzenesulfonic acid Traditional Name: 3-cumyl-5-(1,1-dimethylhexyl)-2-hydroxy-besylic acid Formula: C23H32O4S MolecularWeight: 404.56278

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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)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H32O4S/c1-6-7-11-14-22(2,3)18-15-19(21(24)20(16-18)28(25,26)27)23(4,5)17-12-9-8-10-13-17/h8-10,12-13,15-16,24H,6-7,11,14H2,1-5H3,(H,25,26,27)