(E)-7-[4-(octylsulfanylmethyl)thiolan-3-yl]hept-2-enoic acid

Systemtic Name: (E)-7-[4-(octylsulfanylmethyl)thiolan-3-yl]hept-2-enoic acid Openeye Name: (E)-7-[4-(octylsulfanylmethyl)tetrahydrothiophen-3-yl]hept-2-enoic acid CAS Name: (E)-7-[4-[(octylthio)methyl]-3-thiolanyl]-2-heptenoic acid IUPAC Name: (E)-7-[4-(octylsulfanylmethyl)thiolan-3-yl]hept-2-enoic acid Traditional Name: (E)-7-[4-[(octylthio)methyl]tetrahydrothiophen-3-yl]hept-2-enoic acid Formula: C20H36O2S2 MolecularWeight: 372.62864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC1CSCC1CCCCC=CC(=O)O

Isomeric SMILES

CCCCCCCCSCC1CSCC1CCCC/C=C/C(=O)O

InChI

InChI=1S/C20H36O2S2/c1-2-3-4-5-8-11-14-23-16-19-17-24-15-18(19)12-9-6-7-10-13-20(21)22/h10,13,18-19H,2-9,11-12,14-17H2,1H3,(H,21,22)/b13-10+