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

Systemtic Name: 4-[(E)-4-[2-(3-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[2-(3-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[2-(3-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[2-(3-propoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[2-(3-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=CC(=C1)C2=CC=CC=C2C=CC#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=CC=CC=C2/C=C/C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H22O3/c1-2-18-29-24-12-7-11-23(19-24)25-13-6-5-10-21(25)9-4-3-8-20-14-16-22(17-15-20)26(27)28/h4-7,9-17,19H,2,18H2,1H3,(H,27,28)/b9-4+