(2E)-5-methoxy-2-(phenylmethylidene)pent-3-ynoic acid

Systemtic Name: (2E)-5-methoxy-2-(phenylmethylidene)pent-3-ynoic acid Openeye Name: (2E)-2-benzylidene-5-methoxy-pent-3-ynoic acid CAS Name: (2E)-5-methoxy-2-(phenylmethylene)-3-pentynoic acid IUPAC Name: (2E)-2-benzylidene-5-methoxypent-3-ynoic acid Traditional Name: (2E)-2-benzal-5-methoxy-pent-3-ynoic acid Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC(=CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

COCC#C/C(=C\C1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C13H12O3/c1-16-9-5-8-12(13(14)15)10-11-6-3-2-4-7-11/h2-4,6-7,10H,9H2,1H3,(H,14,15)/b12-10+