methyl 2-[4-(1-methoxycarbonylazulen-2-yl)buta-1,3-diynyl]azulene-1-carboxylate

Systemtic Name: methyl 2-[4-(1-methoxycarbonylazulen-2-yl)buta-1,3-diynyl]azulene-1-carboxylate Openeye Name: methyl 2-[4-(1-methoxycarbonylazulen-2-yl)buta-1,3-diynyl]azulene-1-carboxylate CAS Name: 2-[4-(1-methoxycarbonyl-2-azulenyl)buta-1,3-diynyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(1-methoxycarbonylazulen-2-yl)buta-1,3-diynyl]azulene-1-carboxylate Traditional Name: 2-[4-(1-carbomethoxyazulen-2-yl)buta-1,3-diynyl]azulene-1-carboxylic acid methyl ester Formula: C28H18O4 MolecularWeight: 418.44012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC=CC=C2C=C1C#CC#CC3=CC4=CC=CC=CC4=C3C(=O)OC

Isomeric SMILES

COC(=O)C1=C2C=CC=CC=C2C=C1C#CC#CC3=CC4=CC=CC=CC4=C3C(=O)OC

InChI

InChI=1S/C28H18O4/c1-31-27(29)25-21(17-19-11-5-3-7-15-23(19)25)13-9-10-14-22-18-20-12-6-4-8-16-24(20)26(22)28(30)32-2/h3-8,11-12,15-18H,1-2H3