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

Systemtic Name: methyl 3-[bis(3-methylazulen-1-yl)methyl]azulene-1-carboxylate Openeye Name: methyl 3-[bis(3-methylazulen-1-yl)methyl]azulene-1-carboxylate CAS Name: 3-[bis(3-methyl-1-azulenyl)methyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[bis(3-methylazulen-1-yl)methyl]azulene-1-carboxylate Traditional Name: 3-[bis(3-methylazulen-1-yl)methyl]azulene-1-carboxylic acid methyl ester Formula: C35H28O2 MolecularWeight: 480.59562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C1=CC=CC=C2)C(C3=C4C=CC=CC=C4C(=C3)C)C5=C6C=CC=CC=C6C(=C5)C(=O)OC

Isomeric SMILES

CC1=CC(=C2C1=CC=CC=C2)C(C3=C4C=CC=CC=C4C(=C3)C)C5=C6C=CC=CC=C6C(=C5)C(=O)OC

InChI

InChI=1S/C35H28O2/c1-22-19-30(26-15-9-4-7-13-24(22)26)34(31-20-23(2)25-14-8-5-10-16-27(25)31)32-21-33(35(36)37-3)29-18-12-6-11-17-28(29)32/h4-21,34H,1-3H3