(2E)-2-(thiophen-2-ylmethylidene)oct-3-ynoic acid

Systemtic Name: (2E)-2-(thiophen-2-ylmethylidene)oct-3-ynoic acid Openeye Name: (2E)-2-(2-thienylmethylene)oct-3-ynoic acid CAS Name: (2E)-2-(thiophen-2-ylmethylidene)-3-octynoic acid IUPAC Name: (2E)-2-(thiophen-2-ylmethylidene)oct-3-ynoic acid Traditional Name: (2E)-2-(2-thenylidene)oct-3-ynoic acid Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=CC1=CC=CS1)C(=O)O

Isomeric SMILES

CCCCC#C/C(=C\C1=CC=CS1)/C(=O)O

InChI

InChI=1S/C13H14O2S/c1-2-3-4-5-7-11(13(14)15)10-12-8-6-9-16-12/h6,8-10H,2-4H2,1H3,(H,14,15)/b11-10+