2-[3-bromanyl-2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanyl-phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-bromanyl-2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanyl-phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-bromo-2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanyl-phenyl]-2-oxo-acetic acid CAS Name: 2-[3-bromo-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]thio]phenyl]-2-oxoacetic acid IUPAC Name: 2-[3-bromo-2-[(E)-6,6-dimethylhept-2-en-4-ynyl]sulfanylphenyl]-2-oxoacetic acid Traditional Name: 2-[3-bromo-2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]thio]phenyl]-2-keto-acetic acid Formula: C17H17BrO3S MolecularWeight: 381.28408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCSC1=C(C=CC=C1Br)C(=O)C(=O)O

Isomeric SMILES

CC(C)(C)C#C/C=C/CSC1=C(C=CC=C1Br)C(=O)C(=O)O

InChI

InChI=1S/C17H17BrO3S/c1-17(2,3)10-5-4-6-11-22-15-12(14(19)16(20)21)8-7-9-13(15)18/h4,6-9H,11H2,1-3H3,(H,20,21)/b6-4+