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6,8-bis[(4-phenylphenyl)methylsulfanyl]octanoic acid

6,8-bis[(4-phenylphenyl)methylsulfanyl]octanoic acid

Systemtic Name:6,8-bis[(4-phenylphenyl)methylsulfanyl]octanoic acid
Openeye Name:6,8-bis[(4-phenylphenyl)methylsulfanyl]octanoic acid
CAS Name:6,8-bis[(4-phenylphenyl)methylthio]octanoic acid
IUPAC Name:6,8-bis[(4-phenylphenyl)methylsulfanyl]octanoic acid
Traditional Name:6,8-bis[(4-phenylbenzyl)thio]caprylic acid
Formula: C34H36O2S2
MolecularWeight: 540.77844
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CSCCC(CCCCC(=O)O)SCC3=CC=C(C=C3)C4=CC=CC=C4


Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CSCCC(CCCCC(=O)O)SCC3=CC=C(C=C3)C4=CC=CC=C4


InChI

InChI=1S/C34H36O2S2/c35-34(36)14-8-7-13-33(38-26-28-17-21-32(22-18-28)30-11-5-2-6-12-30)23-24-37-25-27-15-19-31(20-16-27)29-9-3-1-4-10-29/h1-6,9-12,15-22,33H,7-8,13-14,23-26H2,(H,35,36)


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