2-[3-[3-[4-(3-phenylpropanoyl)-2-propyl-phenoxy]propylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[3-[4-(3-phenylpropanoyl)-2-propyl-phenoxy]propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[3-[3-[4-(3-phenylpropanoyl)-2-propyl-phenoxy]propylsulfanyl]phenyl]acetic acid CAS Name: 2-[3-[3-[4-(1-oxo-3-phenylpropyl)-2-propylphenoxy]propylthio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[4-(3-phenylpropanoyl)-2-propylphenoxy]propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[3-[3-(4-hydrocinnamoyl-2-propyl-phenoxy)propylthio]phenyl]acetic acid Formula: C29H32O4S MolecularWeight: 476.62698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CCC2=CC=CC=C2)OCCCSC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CCC2=CC=CC=C2)OCCCSC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C29H32O4S/c1-2-8-25-21-24(27(30)15-13-22-9-4-3-5-10-22)14-16-28(25)33-17-7-18-34-26-12-6-11-23(19-26)20-29(31)32/h3-6,9-12,14,16,19,21H,2,7-8,13,15,17-18,20H2,1H3,(H,31,32)