[(E)-7-chloranyl-4-oxidanyl-hept-2-en-5-ynyl] benzoate

Systemtic Name: [(E)-7-chloranyl-4-oxidanyl-hept-2-en-5-ynyl] benzoate Openeye Name: [(E)-7-chloro-4-hydroxy-hept-2-en-5-ynyl] benzoate CAS Name: benzoic acid [(E)-7-chloro-4-hydroxyhept-2-en-5-ynyl] ester IUPAC Name: [(E)-7-chloro-4-hydroxyhept-2-en-5-ynyl] benzoate Traditional Name: benzoic acid [(E)-7-chloro-4-hydroxy-hept-2-en-5-ynyl] ester Formula: C14H13ClO3 MolecularWeight: 264.70422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC=CC(C#CCCl)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC/C=C/C(C#CCCl)O

InChI

InChI=1S/C14H13ClO3/c15-10-4-8-13(16)9-5-11-18-14(17)12-6-2-1-3-7-12/h1-3,5-7,9,13,16H,10-11H2/b9-5+