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

Systemtic Name: 2-[3-chloranyl-4-[3-(4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoate Openeye Name: 2-[3-chloro-4-[3-(4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]acetate CAS Name: 2-[3-chloro-4-[3-[4-(1-oxopropyl)-2-propylphenoxy]propylthio]phenyl]acetate IUPAC Name: 2-[3-chloro-4-[3-(4-propanoyl-2-propylphenoxy)propylsulfanyl]phenyl]acetate Traditional Name: 2-[3-chloro-4-[3-(4-propionyl-2-propyl-phenoxy)propylthio]phenyl]acetate Formula: C23H26ClO4S- MolecularWeight: 433.96814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CC)OCCCSC2=C(C=C(C=C2)CC(=O)[O-])Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CC)OCCCSC2=C(C=C(C=C2)CC(=O)[O-])Cl

InChI

InChI=1S/C23H27ClO4S/c1-3-6-18-15-17(20(25)4-2)8-9-21(18)28-11-5-12-29-22-10-7-16(13-19(22)24)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27)/p-1