methyl 2-[2-(1-methoxycarbonylazulen-2-yl)-3,4,5,6-tetraphenyl-phenyl]azulene-1-carboxylate

Systemtic Name: methyl 2-[2-(1-methoxycarbonylazulen-2-yl)-3,4,5,6-tetraphenyl-phenyl]azulene-1-carboxylate Openeye Name: methyl 2-[2-(1-methoxycarbonylazulen-2-yl)-3,4,5,6-tetraphenyl-phenyl]azulene-1-carboxylate CAS Name: 2-[2-(1-methoxycarbonyl-2-azulenyl)-3,4,5,6-tetraphenylphenyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1-methoxycarbonylazulen-2-yl)-3,4,5,6-tetraphenylphenyl]azulene-1-carboxylate Traditional Name: 2-[2-(1-carbomethoxyazulen-2-yl)-3,4,5,6-tetraphenyl-phenyl]azulene-1-carboxylic acid methyl ester Formula: C54H38O4 MolecularWeight: 750.87712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC=CC=C2C=C1C3=C(C(=C(C(=C3C4=CC5=CC=CC=CC5=C4C(=O)OC)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

COC(=O)C1=C2C=CC=CC=C2C=C1C3=C(C(=C(C(=C3C4=CC5=CC=CC=CC5=C4C(=O)OC)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C54H38O4/c1-57-53(55)49-41-31-19-7-17-29-39(41)33-43(49)51-47(37-25-13-5-14-26-37)45(35-21-9-3-10-22-35)46(36-23-11-4-12-24-36)48(38-27-15-6-16-28-38)52(51)44-34-40-30-18-8-20-32-42(40)50(44)54(56)58-2/h3-34H,1-2H3