2-[(E)-4-[2-[4-(hydroxymethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate

Systemtic Name: 2-[(E)-4-[2-[4-(hydroxymethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[2-[4-(hydroxymethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[2-[4-(hydroxymethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[2-[4-(hydroxymethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[2-(4-methylolphenyl)phenyl]but-3-en-1-ynyl]benzoate Formula: C24H17O3- MolecularWeight: 353.38998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC#CC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)CO

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C#CC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)CO

InChI

InChI=1S/C24H18O3/c25-17-18-13-15-21(16-14-18)22-11-5-3-8-19(22)7-1-2-9-20-10-4-6-12-23(20)24(26)27/h1,3-8,10-16,25H,17H2,(H,26,27)/p-1/b7-1+