9-[bis(3,6-ditert-butylazulen-1-yl)methyl]anthracene

Systemtic Name: 9-[bis(3,6-ditert-butylazulen-1-yl)methyl]anthracene Openeye Name: 9-[bis(3,6-ditert-butylazulen-1-yl)methyl]anthracene CAS Name: 9-[bis(3,6-ditert-butyl-1-azulenyl)methyl]anthracene IUPAC Name: 9-[bis(3,6-ditert-butylazulen-1-yl)methyl]anthracene Traditional Name: 9-[bis(3,6-ditert-butylazulen-1-yl)methyl]anthracene Formula: C51H55+ MolecularWeight: 667.9824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)[C+](C3=C4C=CC(=CC=C4C(=C3)C(C)(C)C)C(C)(C)C)C5=C6C=CC=CC6=CC7=CC=CC=C75)C=C1

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)[C+](C3=C4C=CC(=CC=C4C(=C3)C(C)(C)C)C(C)(C)C)C5=C6C=CC=CC6=CC7=CC=CC=C75)C=C1

InChI

InChI=1S/C51H55/c1-48(2,3)34-21-25-38-40(27-23-34)44(50(7,8)9)30-42(38)47(46-36-19-15-13-17-32(36)29-33-18-14-16-20-37(33)46)43-31-45(51(10,11)12)41-28-24-35(49(4,5)6)22-26-39(41)43/h13-31H,1-12H3/q+1