2-(2,3,5-trimethyl-4-oxidanyl-phenyl)carbonylbenzenesulfonic acid

Systemtic Name: 2-(2,3,5-trimethyl-4-oxidanyl-phenyl)carbonylbenzenesulfonic acid Openeye Name: 2-(4-hydroxy-2,3,5-trimethyl-benzoyl)benzenesulfonic acid CAS Name: 2-[(4-hydroxy-2,3,5-trimethylphenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-(4-hydroxy-2,3,5-trimethylbenzoyl)benzenesulfonic acid Traditional Name: 2-(4-hydroxy-2,3,5-trimethyl-benzoyl)besylic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2S(=O)(=O)O)C)C)O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2S(=O)(=O)O)C)C)O

InChI

InChI=1S/C16H16O5S/c1-9-8-13(10(2)11(3)15(9)17)16(18)12-6-4-5-7-14(12)22(19,20)21/h4-8,17H,1-3H3,(H,19,20,21)