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

Systemtic Name: 2-methylpropyl 3-[5-(2-methylpropoxycarbonyl)-2-oxidanyl-phenyl]sulfonyl-4-oxidanyl-benzoate Openeye Name: isobutyl 4-hydroxy-3-(2-hydroxy-5-isobutoxycarbonyl-phenyl)sulfonyl-benzoate CAS Name: 4-hydroxy-3-[2-hydroxy-5-[2-methylpropoxy(oxo)methyl]phenyl]sulfonylbenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-hydroxy-3-[2-hydroxy-5-(2-methylpropoxycarbonyl)phenyl]sulfonylbenzoate Traditional Name: 4-hydroxy-3-(2-hydroxy-5-isobutoxycarbonyl-phenyl)sulfonyl-benzoic acid isobutyl ester Formula: C22H26O8S MolecularWeight: 450.50204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O8S/c1-13(2)11-29-21(25)15-5-7-17(23)19(9-15)31(27,28)20-10-16(6-8-18(20)24)22(26)30-12-14(3)4/h5-10,13-14,23-24H,11-12H2,1-4H3