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sodium 6,8-bis(quinolin-4-ylsulfanyl)octanoate

sodium 6,8-bis(quinolin-4-ylsulfanyl)octanoate

Systemtic Name:sodium 6,8-bis(quinolin-4-ylsulfanyl)octanoate
Openeye Name:sodium 6,8-bis(4-quinolylsulfanyl)octanoate
CAS Name:sodium 6,8-bis(4-quinolinylthio)octanoate
IUPAC Name:sodium 6,8-bis(quinolin-4-ylsulfanyl)octanoate
Traditional Name:sodium 6,8-bis(4-quinolylthio)caprylate
Formula: C26H25N2NaO2S2
MolecularWeight: 484.60867
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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.[Na+]


Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)SCCC(CCCCC(=O)[O-])SC3=CC=NC4=CC=CC=C43.[Na+]


InChI

InChI=1S/C26H26N2O2S2.Na/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);/q;+1/p-1


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