[4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate

Systemtic Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate Openeye Name: [4-(1,1,3,3-tetramethylbutyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C20H26O3S MolecularWeight: 346.48364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O3S/c1-19(2,3)15-20(4,5)16-11-13-17(14-12-16)23-24(21,22)18-9-7-6-8-10-18/h6-14H,15H2,1-5H3