2-methylpropyl 3-[5-(2-methylpropoxycarbonyl)-2-oxidanyl-phenyl]sulfanyl-4-oxidanyl-benzoate

Systemtic Name: 2-methylpropyl 3-[5-(2-methylpropoxycarbonyl)-2-oxidanyl-phenyl]sulfanyl-4-oxidanyl-benzoate Openeye Name: isobutyl 4-hydroxy-3-(2-hydroxy-5-isobutoxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[2-methylpropoxy(oxo)methyl]phenyl]thio]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-hydroxy-3-[2-hydroxy-5-(2-methylpropoxycarbonyl)phenyl]sulfanylbenzoate Traditional Name: 4-hydroxy-3-[(2-hydroxy-5-isobutoxycarbonyl-phenyl)thio]benzoic acid isobutyl ester Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCC(C)C)O

Isomeric SMILES

CC(C)COC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCC(C)C)O

InChI

InChI=1S/C22H26O6S/c1-13(2)11-27-21(25)15-5-7-17(23)19(9-15)29-20-10-16(6-8-18(20)24)22(26)28-12-14(3)4/h5-10,13-14,23-24H,11-12H2,1-4H3