2-[3-chloranyl-4-[4-(3-oxidanyl-4-propanoyl-2-propyl-phenyl)butylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[4-(3-oxidanyl-4-propanoyl-2-propyl-phenyl)butylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-[4-(3-hydroxy-4-propanoyl-2-propyl-phenyl)butylsulfanyl]phenyl]acetic acid CAS Name: 2-[3-chloro-4-[4-[3-hydroxy-4-(1-oxopropyl)-2-propylphenyl]butylthio]phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-[4-(3-hydroxy-4-propanoyl-2-propylphenyl)butylsulfanyl]phenyl]acetic acid Traditional Name: 2-[3-chloro-4-[4-(3-hydroxy-4-propionyl-2-propyl-phenyl)butylthio]phenyl]acetic acid Formula: C24H29ClO4S MolecularWeight: 449.00266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)CC)CCCCSC2=C(C=C(C=C2)CC(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)CC)CCCCSC2=C(C=C(C=C2)CC(=O)O)Cl

InChI

InChI=1S/C24H29ClO4S/c1-3-7-18-17(10-11-19(24(18)29)21(26)4-2)8-5-6-13-30-22-12-9-16(14-20(22)25)15-23(27)28/h9-12,14,29H,3-8,13,15H2,1-2H3,(H,27,28)