ethyl 3,5-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]-4-oxidanyl-benzoate

Systemtic Name: ethyl 3,5-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]-4-oxidanyl-benzoate Openeye Name: ethyl 4-hydroxy-3,5-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]benzoate CAS Name: 4-hydroxy-3,5-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3,5-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]benzoate Traditional Name: 4-hydroxy-3,5-bis[4-[2-(4-nitrophenyl)ethynyl]phenyl]benzoic acid ethyl ester Formula: C37H24N2O7 MolecularWeight: 608.59566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)[N+](=O)[O-])O)C4=CC=C(C=C4)C#CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)[N+](=O)[O-])O)C4=CC=C(C=C4)C#CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C37H24N2O7/c1-2-46-37(41)31-23-34(29-15-7-25(8-16-29)3-5-27-11-19-32(20-12-27)38(42)43)36(40)35(24-31)30-17-9-26(10-18-30)4-6-28-13-21-33(22-14-28)39(44)45/h7-24,40H,2H2,1H3