9-[2-[3-(oxan-2-yloxy)hept-6-enyl]-1,3-dithian-2-yl]-7-oxidanyl-non-4-ynoic acid

Systemtic Name: 9-[2-[3-(oxan-2-yloxy)hept-6-enyl]-1,3-dithian-2-yl]-7-oxidanyl-non-4-ynoic acid Openeye Name: 7-hydroxy-9-[2-(3-tetrahydropyran-2-yloxyhept-6-enyl)-1,3-dithian-2-yl]non-4-ynoic acid CAS Name: 7-hydroxy-9-[2-[3-(2-oxanyloxy)hept-6-enyl]-1,3-dithian-2-yl]-4-nonynoic acid IUPAC Name: 7-hydroxy-9-[2-[3-(oxan-2-yloxy)hept-6-enyl]-1,3-dithian-2-yl]non-4-ynoic acid Traditional Name: 7-hydroxy-9-[2-(3-tetrahydropyran-2-yloxyhept-6-enyl)-1,3-dithian-2-yl]non-4-ynoic acid Formula: C25H40O5S2 MolecularWeight: 484.7121

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(CCC1(SCCCS1)CCC(CC#CCCC(=O)O)O)OC2CCCCO2

Isomeric SMILES

C=CCCC(CCC1(SCCCS1)CCC(CC#CCCC(=O)O)O)OC2CCCCO2

InChI

InChI=1S/C25H40O5S2/c1-2-3-11-22(30-24-13-7-8-18-29-24)15-17-25(31-19-9-20-32-25)16-14-21(26)10-5-4-6-12-23(27)28/h2,21-22,24,26H,1,3,6-20H2,(H,27,28)