methyl 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoate CAS Name: 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitrophenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitrophenyl]ethynyl]benzoate Traditional Name: 4-[2-[4-[2-(4-decoxyphenyl)ethynyl]-5-methyl-2-nitro-phenyl]ethynyl]benzoic acid methyl ester Formula: C35H37NO5 MolecularWeight: 551.67198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C#CC2=C(C=C(C(=C2)[N+](=O)[O-])C#CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C#CC2=C(C=C(C(=C2)[N+](=O)[O-])C#CC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C35H37NO5/c1-4-5-6-7-8-9-10-11-24-41-33-22-16-29(17-23-33)14-20-31-26-34(36(38)39)32(25-27(31)2)21-15-28-12-18-30(19-13-28)35(37)40-3/h12-13,16-19,22-23,25-26H,4-11,24H2,1-3H3