6,8-bis[(7-chloranylquinolin-4-yl)sulfanyl]octanoic acid hydrochloride

Systemtic Name: 6,8-bis[(7-chloranylquinolin-4-yl)sulfanyl]octanoic acid hydrochloride Openeye Name: 6,8-bis[(7-chloro-4-quinolyl)sulfanyl]octanoic acid hydrochloride CAS Name: 6,8-bis[(7-chloro-4-quinolinyl)thio]octanoic acid hydrochloride IUPAC Name: 6,8-bis[(7-chloroquinolin-4-yl)sulfanyl]octanoic acid hydrochloride Traditional Name: 6,8-bis[(7-chloro-4-quinolyl)thio]caprylic acid hydrochloride Formula: C26H25Cl3N2O2S2 MolecularWeight: 567.9779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=C1Cl)SCCC(CCCCC(=O)O)SC3=C4C=CC(=CC4=NC=C3)Cl.Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2C=C1Cl)SCCC(CCCCC(=O)O)SC3=C4C=CC(=CC4=NC=C3)Cl.Cl

InChI

InChI=1S/C26H24Cl2N2O2S2.ClH/c27-17-5-7-20-22(15-17)29-12-9-24(20)33-14-11-19(3-1-2-4-26(31)32)34-25-10-13-30-23-16-18(28)6-8-21(23)25;/h5-10,12-13,15-16,19H,1-4,11,14H2,(H,31,32);1H