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6,8-bis(quinolin-4-ylsulfanyl)octanoic acid

6,8-bis(quinolin-4-ylsulfanyl)octanoic acid

Systemtic Name:6,8-bis(quinolin-4-ylsulfanyl)octanoic acid
Openeye Name:6,8-bis(4-quinolylsulfanyl)octanoic acid
CAS Name:6,8-bis(4-quinolinylthio)octanoic acid
IUPAC Name:6,8-bis(quinolin-4-ylsulfanyl)octanoic acid
Traditional Name:6,8-bis(4-quinolylthio)caprylic acid
Formula: C26H26N2O2S2
MolecularWeight: 462.62684
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)SCCC(CCCCC(=O)O)SC3=CC=NC4=CC=CC=C43


Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)SCCC(CCCCC(=O)O)SC3=CC=NC4=CC=CC=C43


InChI

InChI=1S/C26H26N2O2S2/c29-26(30)12-6-1-7-19(32-25-14-17-28-23-11-5-3-9-21(23)25)15-18-31-24-13-16-27-22-10-4-2-8-20(22)24/h2-5,8-11,13-14,16-17,19H,1,6-7,12,15,18H2,(H,29,30)


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