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

Systemtic Name: (E)-7-[4-(hexylsulfonylmethyl)thiolan-3-yl]hept-5-enoic acid Openeye Name: (E)-7-[4-(hexylsulfonylmethyl)tetrahydrothiophen-3-yl]hept-5-enoic acid CAS Name: (E)-7-[4-(hexylsulfonylmethyl)-3-thiolanyl]-5-heptenoic acid IUPAC Name: (E)-7-[4-(hexylsulfonylmethyl)thiolan-3-yl]hept-5-enoic acid Traditional Name: (E)-7-[4-(hexylsulfonylmethyl)tetrahydrothiophen-3-yl]hept-5-enoic acid Formula: C18H32O4S2 MolecularWeight: 376.57428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)CC1CSCC1CC=CCCCC(=O)O

Isomeric SMILES

CCCCCCS(=O)(=O)CC1CSCC1C/C=C/CCCC(=O)O

InChI

InChI=1S/C18H32O4S2/c1-2-3-4-9-12-24(21,22)15-17-14-23-13-16(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+