2-[3-chloranyl-4-[3-[2-(cyclopropylmethyl)-3-oxidanyl-4-propanoyl-phenoxy]propylsulfanyl]phenyl]ethanoate

Systemtic Name: 2-[3-chloranyl-4-[3-[2-(cyclopropylmethyl)-3-oxidanyl-4-propanoyl-phenoxy]propylsulfanyl]phenyl]ethanoate Openeye Name: 2-[3-chloro-4-[3-[2-(cyclopropylmethyl)-3-hydroxy-4-propanoyl-phenoxy]propylsulfanyl]phenyl]acetate CAS Name: 2-[3-chloro-4-[3-[2-(cyclopropylmethyl)-3-hydroxy-4-(1-oxopropyl)phenoxy]propylthio]phenyl]acetate IUPAC Name: 2-[3-chloro-4-[3-[2-(cyclopropylmethyl)-3-hydroxy-4-propanoylphenoxy]propylsulfanyl]phenyl]acetate Traditional Name: 2-[3-chloro-4-[3-[2-(cyclopropylmethyl)-3-hydroxy-4-propionyl-phenoxy]propylthio]phenyl]acetate Formula: C24H26ClO5S- MolecularWeight: 461.97824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(C=C1)OCCCSC2=C(C=C(C=C2)CC(=O)[O-])Cl)CC3CC3)O

Isomeric SMILES

CCC(=O)C1=C(C(=C(C=C1)OCCCSC2=C(C=C(C=C2)CC(=O)[O-])Cl)CC3CC3)O

InChI

InChI=1S/C24H27ClO5S/c1-2-20(26)17-7-8-21(18(24(17)29)12-15-4-5-15)30-10-3-11-31-22-9-6-16(13-19(22)25)14-23(27)28/h6-9,13,15,29H,2-5,10-12,14H2,1H3,(H,27,28)/p-1