ethyl 3-[2-[4-[2-(3-ethoxycarbonyl-5-oxidanyl-phenyl)ethynyl]phenyl]ethynyl]-5-oxidanyl-benzoate

Systemtic Name: ethyl 3-[2-[4-[2-(3-ethoxycarbonyl-5-oxidanyl-phenyl)ethynyl]phenyl]ethynyl]-5-oxidanyl-benzoate Openeye Name: ethyl 3-[2-[4-[2-(3-ethoxycarbonyl-5-hydroxy-phenyl)ethynyl]phenyl]ethynyl]-5-hydroxy-benzoate CAS Name: 3-[2-[4-[2-(3-ethoxycarbonyl-5-hydroxyphenyl)ethynyl]phenyl]ethynyl]-5-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-[2-(3-ethoxycarbonyl-5-hydroxyphenyl)ethynyl]phenyl]ethynyl]-5-hydroxybenzoate Traditional Name: 3-[2-[4-[2-(3-carbethoxy-5-hydroxy-phenyl)ethynyl]phenyl]ethynyl]-5-hydroxy-benzoic acid ethyl ester Formula: C28H22O6 MolecularWeight: 454.47068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C#CC2=CC=C(C=C2)C#CC3=CC(=CC(=C3)O)C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C#CC2=CC=C(C=C2)C#CC3=CC(=CC(=C3)O)C(=O)OCC)O

InChI

InChI=1S/C28H22O6/c1-3-33-27(31)23-13-21(15-25(29)17-23)11-9-19-5-7-20(8-6-19)10-12-22-14-24(18-26(30)16-22)28(32)34-4-2/h5-8,13-18,29-30H,3-4H2,1-2H3