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6-sulfanyl-8-(triphenylmethyl)sulfanyl-octanoic acid

6-sulfanyl-8-(triphenylmethyl)sulfanyl-octanoic acid

Systemtic Name:6-sulfanyl-8-(triphenylmethyl)sulfanyl-octanoic acid
Openeye Name:6-sulfanyl-8-tritylsulfanyl-octanoic acid
CAS Name:6-mercapto-8-[(triphenylmethyl)thio]octanoic acid
IUPAC Name:6-sulfanyl-8-tritylsulfanyloctanoic acid
Traditional Name:6-mercapto-8-(tritylthio)caprylic acid
Formula: C27H30O2S2
MolecularWeight: 450.6559
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(CCCCC(=O)O)S


Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(CCCCC(=O)O)S


InChI

InChI=1S/C27H30O2S2/c28-26(29)19-11-10-18-25(30)20-21-31-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,25,30H,10-11,18-21H2,(H,28,29)


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