(E)-7-[4-(hexylsulfanylmethyl)thiolan-3-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[4-(hexylsulfanylmethyl)thiolan-3-yl]hept-5-enoic acid Openeye Name: (E)-7-[4-(hexylsulfanylmethyl)tetrahydrothiophen-3-yl]hept-5-enoic acid CAS Name: (E)-7-[4-[(hexylthio)methyl]-3-thiolanyl]-5-heptenoic acid IUPAC Name: (E)-7-[4-(hexylsulfanylmethyl)thiolan-3-yl]hept-5-enoic acid Traditional Name: (E)-7-[4-[(hexylthio)methyl]tetrahydrothiophen-3-yl]hept-5-enoic acid Formula: C18H32O2S2 MolecularWeight: 344.57548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC1CSCC1CC=CCCCC(=O)O

Isomeric SMILES

CCCCCCSCC1CSCC1C/C=C/CCCC(=O)O

InChI

InChI=1S/C18H32O2S2/c1-2-3-4-9-12-21-14-17-15-22-13-16(17)10-7-5-6-8-11-18(19)20/h5,7,16-17H,2-4,6,8-15H2,1H3,(H,19,20)/b7-5+