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

Systemtic Name: methyl 3-[bis(3-tert-butylazulen-1-yl)methyl]azulene-1-carboxylate Openeye Name: methyl 3-[bis(3-tert-butylazulen-1-yl)methyl]azulene-1-carboxylate CAS Name: 3-[bis(3-tert-butyl-1-azulenyl)methyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[bis(3-tert-butylazulen-1-yl)methyl]azulene-1-carboxylate Traditional Name: 3-[bis(3-tert-butylazulen-1-yl)methyl]azulene-1-carboxylic acid methyl ester Formula: C41H40O2 MolecularWeight: 564.7551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C=CC=CC=C2C(=C1)C(C3=CC(=C4C3=CC=CC=C4)C(C)(C)C)C5=C6C=CC=CC=C6C(=C5)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C2C=CC=CC=C2C(=C1)C(C3=CC(=C4C3=CC=CC=C4)C(C)(C)C)C5=C6C=CC=CC=C6C(=C5)C(=O)OC

InChI

InChI=1S/C41H40O2/c1-40(2,3)36-24-33(28-19-13-9-15-21-30(28)36)38(32-23-35(39(42)43-7)27-18-12-8-11-17-26(27)32)34-25-37(41(4,5)6)31-22-16-10-14-20-29(31)34/h8-25,38H,1-7H3