methyl 3-[(3-tert-butylazulen-1-yl)-(3-methylazulen-1-yl)methyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[(3-tert-butylazulen-1-yl)-(3-methylazulen-1-yl)methyl]azulene-1-carboxylate Openeye Name: methyl 3-[(3-tert-butylazulen-1-yl)-(3-methylazulen-1-yl)methyl]azulene-1-carboxylate CAS Name: 3-[(3-tert-butyl-1-azulenyl)-(3-methyl-1-azulenyl)methyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-tert-butylazulen-1-yl)-(3-methylazulen-1-yl)methyl]azulene-1-carboxylate Traditional Name: 3-[(3-tert-butylazulen-1-yl)-(3-methylazulen-1-yl)methyl]azulene-1-carboxylic acid methyl ester Formula: C38H34O2 MolecularWeight: 522.67536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C1=CC=CC=C2)C(C3=CC(=C4C3=CC=CC=C4)C(C)(C)C)C5=C6C=CC=CC=C6C(=C5)C(=O)OC

Isomeric SMILES

CC1=CC(=C2C1=CC=CC=C2)C(C3=CC(=C4C3=CC=CC=C4)C(C)(C)C)C5=C6C=CC=CC=C6C(=C5)C(=O)OC

InChI

InChI=1S/C38H34O2/c1-24-21-31(26-16-10-6-9-15-25(24)26)36(32-22-34(37(39)40-5)28-18-12-7-11-17-27(28)32)33-23-35(38(2,3)4)30-20-14-8-13-19-29(30)33/h6-23,36H,1-5H3