1,3-bis[bis(2-methylazulen-1-yl)methyl]-2-methyl-azulene

Systemtic Name: 1,3-bis[bis(2-methylazulen-1-yl)methyl]-2-methyl-azulene Openeye Name: 1,3-bis[bis(2-methylazulen-1-yl)methyl]-2-methyl-azulene CAS Name: 1,3-bis[bis(2-methyl-1-azulenyl)methyl]-2-methylazulene IUPAC Name: 1,3-bis[bis(2-methylazulen-1-yl)methyl]-2-methylazulene Traditional Name: 1,3-bis[bis(2-methylazulen-1-yl)methyl]-2-methyl-azulene Formula: C57H46 MolecularWeight: 730.97514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=CC2=C1C(C3=C4C=CC=CC=C4C=C3C)C5=C(C(=C6C5=CC=CC=C6)C(C7=C8C=CC=CC=C8C=C7C)C9=C1C=CC=CC=C1C=C9C)C

Isomeric SMILES

CC1=CC2=CC=CC=CC2=C1C(C3=C4C=CC=CC=C4C=C3C)C5=C(C(=C6C5=CC=CC=C6)C(C7=C8C=CC=CC=C8C=C7C)C9=C1C=CC=CC=C1C=C9C)C

InChI

InChI=1S/C57H46/c1-35-31-40-21-11-6-15-25-44(40)50(35)56(51-36(2)32-41-22-12-7-16-26-45(41)51)54-39(5)55(49-30-20-10-19-29-48(49)54)57(52-37(3)33-42-23-13-8-17-27-46(42)52)53-38(4)34-43-24-14-9-18-28-47(43)53/h6-34,56-57H,1-5H3