2-[(E)-4-[2-[4-(2-ethoxy-2-methoxy-ethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate

Systemtic Name: 2-[(E)-4-[2-[4-(2-ethoxy-2-methoxy-ethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[2-[4-(2-ethoxy-2-methoxy-ethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[2-[4-(2-ethoxy-2-methoxyethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[2-[4-(2-ethoxy-2-methoxyethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[2-[4-(2-ethoxy-2-methoxy-ethyl)phenyl]phenyl]but-3-en-1-ynyl]benzoate Formula: C28H25O4- MolecularWeight: 425.4957

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CC=CC=C3C(=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C28H26O4/c1-3-32-27(31-2)20-21-16-18-24(19-17-21)25-14-8-6-11-22(25)10-4-5-12-23-13-7-9-15-26(23)28(29)30/h4,6-11,13-19,27H,3,20H2,1-2H3,(H,29,30)/p-1/b10-4+