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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClO5S/c1-3-6-18-21(10-9-17(24(18)29)20(26)7-4-2)30-12-5-13-31-22-11-8-16(14-19(22)25)15-23(27)28/h8-11,14,29H,3-7,12-13,15H2,1-2H3,(H,27,28)/p-1