2-[(5-oct-1-ynylthiophen-2-yl)methylidene]propanedioic acid

Systemtic Name: 2-[(5-oct-1-ynylthiophen-2-yl)methylidene]propanedioic acid Openeye Name: 2-[(5-oct-1-ynyl-2-thienyl)methylene]propanedioic acid CAS Name: 2-[(5-oct-1-ynyl-2-thiophenyl)methylidene]propanedioic acid IUPAC Name: 2-[(5-oct-1-ynylthiophen-2-yl)methylidene]propanedioic acid Traditional Name: 2-[(5-oct-1-ynyl-2-thienyl)methylene]malonic acid Formula: C16H18O4S MolecularWeight: 306.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=C(S1)C=C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC#CC1=CC=C(S1)C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H18O4S/c1-2-3-4-5-6-7-8-12-9-10-13(21-12)11-14(15(17)18)16(19)20/h9-11H,2-6H2,1H3,(H,17,18)(H,19,20)