5-tert-butyl-2-methyl-3-naphthalen-1-ylsulfonyl-6-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-2-methyl-3-naphthalen-1-ylsulfonyl-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(1-naphthylsulfonyl)benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(1-naphthalenylsulfonyl)benzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-naphthalen-1-ylsulfonylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(1-naphthylsulfonyl)benzoic acid Formula: C22H22O5S MolecularWeight: 398.47208

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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)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)S(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H22O5S/c1-13-18(12-16(22(2,3)4)20(23)19(13)21(24)25)28(26,27)17-11-7-9-14-8-5-6-10-15(14)17/h5-12,23H,1-4H3,(H,24,25)