6-[5-[(E)-3-oxidanylideneoct-1-enyl]thiophen-2-yl]hexanoic acid

Systemtic Name: 6-[5-[(E)-3-oxidanylideneoct-1-enyl]thiophen-2-yl]hexanoic acid Openeye Name: 6-[5-[(E)-3-oxooct-1-enyl]-2-thienyl]hexanoic acid CAS Name: 6-[5-[(E)-3-oxooct-1-enyl]-2-thiophenyl]hexanoic acid IUPAC Name: 6-[5-[(E)-3-oxooct-1-enyl]thiophen-2-yl]hexanoic acid Traditional Name: 6-[5-[(E)-3-ketooct-1-enyl]-2-thienyl]hexanoic acid Formula: C18H26O3S MolecularWeight: 322.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1=CC=C(S1)CCCCCC(=O)O

Isomeric SMILES

CCCCCC(=O)/C=C/C1=CC=C(S1)CCCCCC(=O)O

InChI

InChI=1S/C18H26O3S/c1-2-3-5-8-15(19)11-12-17-14-13-16(22-17)9-6-4-7-10-18(20)21/h11-14H,2-10H2,1H3,(H,20,21)/b12-11+