2-[(4-tert-butylphenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(4-tert-butylphenyl)methylsulfonyl]acetic acid CAS Name: 2-[(4-tert-butylphenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfonyl]acetic acid Traditional Name: 2-(4-tert-butylbenzyl)sulfonylacetic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC(=O)O

InChI

InChI=1S/C13H18O4S/c1-13(2,3)11-6-4-10(5-7-11)8-18(16,17)9-12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)