2-oxidanyl-3-(1-phenylethyl)-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid

Systemtic Name: 2-oxidanyl-3-(1-phenylethyl)-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid Openeye Name: 2-hydroxy-3-(1-phenylethyl)-5-(1,1,3,3-tetramethylbutyl)benzenesulfonic acid CAS Name: 2-hydroxy-3-(1-phenylethyl)-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid IUPAC Name: 2-hydroxy-3-(1-phenylethyl)-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid Traditional Name: 2-hydroxy-3-(1-phenylethyl)-5-(1,1,3,3-tetramethylbutyl)besylic acid Formula: C22H30O4S MolecularWeight: 390.5362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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