2-[3-chloranyl-4-[3-[4-(2-methylpropanoyl)-3-oxidanyl-2-propyl-phenoxy]propylsulfanyl]phenyl]ethanoate

Systemtic Name: 2-[3-chloranyl-4-[3-[4-(2-methylpropanoyl)-3-oxidanyl-2-propyl-phenoxy]propylsulfanyl]phenyl]ethanoate Openeye Name: 2-[3-chloro-4-[3-[3-hydroxy-4-(2-methylpropanoyl)-2-propyl-phenoxy]propylsulfanyl]phenyl]acetate CAS Name: 2-[3-chloro-4-[3-[3-hydroxy-4-(2-methyl-1-oxopropyl)-2-propylphenoxy]propylthio]phenyl]acetate IUPAC Name: 2-[3-chloro-4-[3-[3-hydroxy-4-(2-methylpropanoyl)-2-propylphenoxy]propylsulfanyl]phenyl]acetate Traditional Name: 2-[3-chloro-4-[3-(3-hydroxy-4-isobutyryl-2-propyl-phenoxy)propylthio]phenyl]acetate Formula: C24H28ClO5S- MolecularWeight: 463.99412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C(C)C)OCCCSC2=C(C=C(C=C2)CC(=O)[O-])Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C(C)C)OCCCSC2=C(C=C(C=C2)CC(=O)[O-])Cl

InChI

InChI=1S/C24H29ClO5S/c1-4-6-17-20(9-8-18(24(17)29)23(28)15(2)3)30-11-5-12-31-21-10-7-16(13-19(21)25)14-22(26)27/h7-10,13,15,29H,4-6,11-12,14H2,1-3H3,(H,26,27)/p-1