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

Systemtic Name: 2-[3-chloranyl-4-[4-(3-oxidanyl-4-propanoyl-2-propyl-phenyl)butylsulfanyl]phenyl]ethanoate Openeye Name: 2-[3-chloro-4-[4-(3-hydroxy-4-propanoyl-2-propyl-phenyl)butylsulfanyl]phenyl]acetate CAS Name: 2-[3-chloro-4-[4-[3-hydroxy-4-(1-oxopropyl)-2-propylphenyl]butylthio]phenyl]acetate IUPAC Name: 2-[3-chloro-4-[4-(3-hydroxy-4-propanoyl-2-propylphenyl)butylsulfanyl]phenyl]acetate Traditional Name: 2-[3-chloro-4-[4-(3-hydroxy-4-propionyl-2-propyl-phenyl)butylthio]phenyl]acetate Formula: C24H28ClO4S- MolecularWeight: 447.99472

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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)/p-1