2-[(E)-4-[2-(methoxymethoxy)-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate

Systemtic Name: 2-[(E)-4-[2-(methoxymethoxy)-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[2-(methoxymethoxy)-6-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[2-(methoxymethoxy)-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[2-(methoxymethoxy)-6-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[2-(methoxymethoxy)-6-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate Formula: C26H21O4- MolecularWeight: 397.44254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC=C2)OCOC)C=CC#CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC=C2)OCOC)/C=C/C#CC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C26H22O4/c1-19-14-16-21(17-15-19)22-12-7-13-25(30-18-29-2)24(22)11-6-4-9-20-8-3-5-10-23(20)26(27)28/h3,5-8,10-17H,18H2,1-2H3,(H,27,28)/p-1/b11-6+