(E)-7-[4-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]thiolan-3-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[4-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]thiolan-3-yl]hept-5-enoic acid Openeye Name: (E)-7-[4-[(E)-3-hydroxy-4-phenyl-but-1-enyl]tetrahydrothiophen-3-yl]hept-5-enoic acid CAS Name: (E)-7-[4-[(E)-3-hydroxy-4-phenylbut-1-enyl]-3-thiolanyl]-5-heptenoic acid IUPAC Name: (E)-7-[4-[(E)-3-hydroxy-4-phenylbut-1-enyl]thiolan-3-yl]hept-5-enoic acid Traditional Name: (E)-7-[4-[(E)-3-hydroxy-4-phenyl-but-1-enyl]tetrahydrothiophen-3-yl]hept-5-enoic acid Formula: C21H28O3S MolecularWeight: 360.51022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1)C=CC(CC2=CC=CC=C2)O)CC=CCCCC(=O)O

Isomeric SMILES

C1C(C(CS1)/C=C/C(CC2=CC=CC=C2)O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C21H28O3S/c22-20(14-17-8-4-3-5-9-17)13-12-19-16-25-15-18(19)10-6-1-2-7-11-21(23)24/h1,3-6,8-9,12-13,18-20,22H,2,7,10-11,14-16H2,(H,23,24)/b6-1+,13-12+