methyl 2-[2-(1-methoxycarbonylazulen-2-yl)ethynyl]azulene-1-carboxylate

Systemtic Name: methyl 2-[2-(1-methoxycarbonylazulen-2-yl)ethynyl]azulene-1-carboxylate Openeye Name: methyl 2-[2-(1-methoxycarbonylazulen-2-yl)ethynyl]azulene-1-carboxylate CAS Name: 2-[2-(1-methoxycarbonyl-2-azulenyl)ethynyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1-methoxycarbonylazulen-2-yl)ethynyl]azulene-1-carboxylate Traditional Name: 2-[2-(1-carbomethoxyazulen-2-yl)ethynyl]azulene-1-carboxylic acid methyl ester Formula: C26H18O4 MolecularWeight: 394.41872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18O4/c1-29-25(27)23-19(15-17-9-5-3-7-11-21(17)23)13-14-20-16-18-10-6-4-8-12-22(18)24(20)26(28)30-2/h3-12,15-16H,1-2H3