2-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid

Systemtic Name: 2-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Openeye Name: 2-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 2-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 2-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Traditional Name: 2-[(E)-4-[2-(4-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Formula: C26H22O3 MolecularWeight: 382.45108

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H22O3/c1-2-19-29-23-17-15-22(16-18-23)24-13-7-5-10-20(24)9-3-4-11-21-12-6-8-14-25(21)26(27)28/h3,5-10,12-18H,2,19H2,1H3,(H,27,28)/b9-3+