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

Systemtic Name: 6,8-bis[(7-chloranylquinolin-4-yl)sulfanyl]octanoic acid Openeye Name: 6,8-bis[(7-chloro-4-quinolyl)sulfanyl]octanoic acid CAS Name: 6,8-bis[(7-chloro-4-quinolinyl)thio]octanoic acid IUPAC Name: 6,8-bis[(7-chloroquinolin-4-yl)sulfanyl]octanoic acid Traditional Name: 6,8-bis[(7-chloro-4-quinolyl)thio]caprylic acid Formula: C26H24Cl2N2O2S2 MolecularWeight: 531.51696

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H24Cl2N2O2S2/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)