butan-2-yl 3-(5-butan-2-yloxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate

Systemtic Name: butan-2-yl 3-(5-butan-2-yloxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate Openeye Name: sec-butyl 4-hydroxy-3-(2-hydroxy-5-sec-butoxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 3-[[5-[butan-2-yloxy(oxo)methyl]-2-hydroxyphenyl]thio]-4-hydroxybenzoic acid butan-2-yl ester IUPAC Name: butan-2-yl 3-(5-butan-2-yloxycarbonyl-2-hydroxyphenyl)sulfanyl-4-hydroxybenzoate Traditional Name: 4-hydroxy-3-[(2-hydroxy-5-sec-butoxycarbonyl-phenyl)thio]benzoic acid sec-butyl ester Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OC(C)CC)O

Isomeric SMILES

CCC(C)OC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OC(C)CC)O

InChI

InChI=1S/C22H26O6S/c1-5-13(3)27-21(25)15-7-9-17(23)19(11-15)29-20-12-16(8-10-18(20)24)22(26)28-14(4)6-2/h7-14,23-24H,5-6H2,1-4H3