5-tert-butyl-2-methyl-6-oxidanyl-3-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 5-tert-butyl-2-methyl-6-oxidanyl-3-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 5-benzylsulfonyl-3-tert-butyl-2-hydroxy-6-methyl-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 5-benzylsulfonyl-3-tert-butyl-2-hydroxy-6-methylbenzoic acid Traditional Name: 5-benzylsulfonyl-3-tert-butyl-2-hydroxy-6-methyl-benzoic acid Formula: C19H22O5S MolecularWeight: 362.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H22O5S/c1-12-15(25(23,24)11-13-8-6-5-7-9-13)10-14(19(2,3)4)17(20)16(12)18(21)22/h5-10,20H,11H2,1-4H3,(H,21,22)