6-oxidanyl-8-[2-(3-oxidanylnonyl)-1,3-dithian-2-yl]oct-3-ynoic acid

Systemtic Name: 6-oxidanyl-8-[2-(3-oxidanylnonyl)-1,3-dithian-2-yl]oct-3-ynoic acid Openeye Name: 6-hydroxy-8-[2-(3-hydroxynonyl)-1,3-dithian-2-yl]oct-3-ynoic acid CAS Name: 6-hydroxy-8-[2-(3-hydroxynonyl)-1,3-dithian-2-yl]-3-octynoic acid IUPAC Name: 6-hydroxy-8-[2-(3-hydroxynonyl)-1,3-dithian-2-yl]oct-3-ynoic acid Traditional Name: 6-hydroxy-8-[2-(3-hydroxynonyl)-1,3-dithian-2-yl]oct-3-ynoic acid Formula: C21H36O4S2 MolecularWeight: 416.63814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC1(SCCCS1)CCC(CC#CCC(=O)O)O)O

Isomeric SMILES

CCCCCCC(CCC1(SCCCS1)CCC(CC#CCC(=O)O)O)O

InChI

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