(E)-3-(4-oct-1-ynylthiophen-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-oct-1-ynylthiophen-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-oct-1-ynyl-3-thienyl)prop-2-enoic acid CAS Name: (E)-3-(4-oct-1-ynyl-3-thiophenyl)-2-propenoic acid IUPAC Name: (E)-3-(4-oct-1-ynylthiophen-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-oct-1-ynyl-3-thienyl)acrylic acid Formula: C15H18O2S MolecularWeight: 262.36722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CSC=C1C=CC(=O)O

Isomeric SMILES

CCCCCCC#CC1=CSC=C1/C=C/C(=O)O

InChI

InChI=1S/C15H18O2S/c1-2-3-4-5-6-7-8-13-11-18-12-14(13)9-10-15(16)17/h9-12H,2-6H2,1H3,(H,16,17)/b10-9+