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

Systemtic Name: 3-(1,3-diphenylbutyl)-2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid Openeye Name: 3-(1,3-diphenylbutyl)-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzenesulfonic acid CAS Name: 3-(1,3-diphenylbutyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid IUPAC Name: 3-(1,3-diphenylbutyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid Traditional Name: 3-(1,3-diphenylbutyl)-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)besylic acid Formula: C30H38O4S MolecularWeight: 494.68532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)C2=C(C(=CC(=C2)C(C)(C)CC(C)(C)C)S(=O)(=O)O)O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(C1=CC=CC=C1)C2=C(C(=CC(=C2)C(C)(C)CC(C)(C)C)S(=O)(=O)O)O)C3=CC=CC=C3

InChI

InChI=1S/C30H38O4S/c1-21(22-13-9-7-10-14-22)17-25(23-15-11-8-12-16-23)26-18-24(30(5,6)20-29(2,3)4)19-27(28(26)31)35(32,33)34/h7-16,18-19,21,25,31H,17,20H2,1-6H3,(H,32,33,34)