2-[3-chloranyl-4-[3-(3-methoxy-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[3-(3-methoxy-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-[3-(3-methoxy-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]acetic acid CAS Name: 2-[3-chloro-4-[3-[3-methoxy-4-(1-oxopropyl)-2-propylphenoxy]propylthio]phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-[3-(3-methoxy-4-propanoyl-2-propylphenoxy)propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[3-chloro-4-[3-(3-methoxy-4-propionyl-2-propyl-phenoxy)propylthio]phenyl]acetic acid Formula: C24H29ClO5S MolecularWeight: 465.00206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)C(=O)CC)OCCCSC2=C(C=C(C=C2)CC(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)C(=O)CC)OCCCSC2=C(C=C(C=C2)CC(=O)O)Cl

InChI

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