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

Systemtic Name: 2-[(E)-4-[2-[3-(methoxymethoxy)phenyl]phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[2-[3-(methoxymethoxy)phenyl]phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[2-[3-(methoxymethoxy)phenyl]phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[2-[3-(methoxymethoxy)phenyl]phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[2-[3-(methoxymethoxy)phenyl]phenyl]but-3-en-1-ynyl]benzoate Formula: C25H19O4- MolecularWeight: 383.41596

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=CC=CC(=C1)C2=CC=CC=C2C=CC#CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

COCOC1=CC=CC(=C1)C2=CC=CC=C2/C=C/C#CC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C25H20O4/c1-28-18-29-22-14-8-13-21(17-22)23-15-6-4-10-19(23)9-2-3-11-20-12-5-7-16-24(20)25(26)27/h2,4-10,12-17H,18H2,1H3,(H,26,27)/p-1/b9-2+