2-tert-butyl-4-methyl-6-phenyl-benzenesulfonate

Systemtic Name: 2-tert-butyl-4-methyl-6-phenyl-benzenesulfonate Openeye Name: 2-tert-butyl-4-methyl-6-phenyl-benzenesulfonate CAS Name: 2-tert-butyl-4-methyl-6-phenylbenzenesulfonate IUPAC Name: 2-tert-butyl-4-methyl-6-phenylbenzenesulfonate Traditional Name: 2-tert-butyl-4-methyl-6-phenyl-besylate Formula: C17H19O3S- MolecularWeight: 303.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)[O-])C(C)(C)C

InChI

InChI=1S/C17H20O3S/c1-12-10-14(13-8-6-5-7-9-13)16(21(18,19)20)15(11-12)17(2,3)4/h5-11H,1-4H3,(H,18,19,20)/p-1