butyl 3-(5-butoxycarbonyl-2-oxidanyl-phenyl)sulfonyl-4-oxidanyl-benzoate

Systemtic Name: butyl 3-(5-butoxycarbonyl-2-oxidanyl-phenyl)sulfonyl-4-oxidanyl-benzoate Openeye Name: butyl 3-(5-butoxycarbonyl-2-hydroxy-phenyl)sulfonyl-4-hydroxy-benzoate CAS Name: 3-[5-[butoxy(oxo)methyl]-2-hydroxyphenyl]sulfonyl-4-hydroxybenzoic acid butyl ester IUPAC Name: butyl 3-(5-butoxycarbonyl-2-hydroxyphenyl)sulfonyl-4-hydroxybenzoate Traditional Name: 3-(5-butoxycarbonyl-2-hydroxy-phenyl)sulfonyl-4-hydroxy-benzoic acid butyl ester Formula: C22H26O8S MolecularWeight: 450.50204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC)O

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC)O

InChI

InChI=1S/C22H26O8S/c1-3-5-11-29-21(25)15-7-9-17(23)19(13-15)31(27,28)20-14-16(8-10-18(20)24)22(26)30-12-6-4-2/h7-10,13-14,23-24H,3-6,11-12H2,1-2H3