4-[4-(2-tert-butyl-4,5-dimethyl-thiophen-3-yl)carbonylphenoxy]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[4-(2-tert-butyl-4,5-dimethyl-thiophen-3-yl)carbonylphenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-(2-tert-butyl-4,5-dimethyl-thiophene-3-carbonyl)phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[4-[(2-tert-butyl-4,5-dimethyl-3-thiophenyl)-oxomethyl]phenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-(2-tert-butyl-4,5-dimethylthiophene-3-carbonyl)phenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-(2-tert-butyl-4,5-dimethyl-thiophene-3-carbonyl)phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C24H24O7S2 MolecularWeight: 488.57316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C(=O)O)O)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C(=O)O)O)C(C)(C)C)C

InChI

InChI=1S/C24H24O7S2/c1-13-14(2)32-22(24(3,4)5)20(13)21(26)15-6-8-16(9-7-15)31-33(29,30)17-10-11-18(23(27)28)19(25)12-17/h6-12,25H,1-5H3,(H,27,28)