7-oxidanyl-9-[2-(3-oxidanyloctyl)-1,3-dithian-2-yl]non-4-ynoic acid

Systemtic Name: 7-oxidanyl-9-[2-(3-oxidanyloctyl)-1,3-dithian-2-yl]non-4-ynoic acid Openeye Name: 7-hydroxy-9-[2-(3-hydroxyoctyl)-1,3-dithian-2-yl]non-4-ynoic acid CAS Name: 7-hydroxy-9-[2-(3-hydroxyoctyl)-1,3-dithian-2-yl]-4-nonynoic acid IUPAC Name: 7-hydroxy-9-[2-(3-hydroxyoctyl)-1,3-dithian-2-yl]non-4-ynoic acid Traditional Name: 7-hydroxy-9-[2-(3-hydroxyoctyl)-1,3-dithian-2-yl]non-4-ynoic acid Formula: C21H36O4S2 MolecularWeight: 416.63814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1(SCCCS1)CCC(CC#CCCC(=O)O)O)O

Isomeric SMILES

CCCCCC(CCC1(SCCCS1)CCC(CC#CCCC(=O)O)O)O

InChI

InChI=1S/C21H36O4S2/c1-2-3-5-9-18(22)12-14-21(26-16-8-17-27-21)15-13-19(23)10-6-4-7-11-20(24)25/h18-19,22-23H,2-3,5,7-17H2,1H3,(H,24,25)