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4-[3-oxidanylidene-4-[4-(5-phenylpentylsulfanyl)phenoxy]butyl]benzoic acid

4-[3-oxidanylidene-4-[4-(5-phenylpentylsulfanyl)phenoxy]butyl]benzoic acid

Systemtic Name:4-[3-oxidanylidene-4-[4-(5-phenylpentylsulfanyl)phenoxy]butyl]benzoic acid
Openeye Name:4-[3-oxo-4-[4-(5-phenylpentylsulfanyl)phenoxy]butyl]benzoic acid
CAS Name:4-[3-oxo-4-[4-(5-phenylpentylthio)phenoxy]butyl]benzoic acid
IUPAC Name:4-[3-oxo-4-[4-(5-phenylpentylsulfanyl)phenoxy]butyl]benzoic acid
Traditional Name:4-[3-keto-4-[4-(5-phenylpentylthio)phenoxy]butyl]benzoic acid
Formula: C28H30O4S
MolecularWeight: 462.6004
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCSC2=CC=C(C=C2)OCC(=O)CCC3=CC=C(C=C3)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCCCCSC2=CC=C(C=C2)OCC(=O)CCC3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C28H30O4S/c29-25(15-12-23-10-13-24(14-11-23)28(30)31)21-32-26-16-18-27(19-17-26)33-20-6-2-5-9-22-7-3-1-4-8-22/h1,3-4,7-8,10-11,13-14,16-19H,2,5-6,9,12,15,20-21H2,(H,30,31)


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