1,6-ditert-butyl-3-[cyclopentyl-(3,6-ditert-butylazulen-1-yl)methyl]azulene

Systemtic Name: 1,6-ditert-butyl-3-[cyclopentyl-(3,6-ditert-butylazulen-1-yl)methyl]azulene Openeye Name: 1,6-ditert-butyl-3-[cyclopentyl-(3,6-ditert-butylazulen-1-yl)methyl]azulene CAS Name: 1,6-ditert-butyl-3-[cyclopentyl-(3,6-ditert-butyl-1-azulenyl)methyl]azulene IUPAC Name: 1,6-ditert-butyl-3-[cyclopentyl-(3,6-ditert-butylazulen-1-yl)methyl]azulene Traditional Name: 1,6-ditert-butyl-3-[cyclopentyl-(3,6-ditert-butylazulen-1-yl)methyl]azulene Formula: C42H51 MolecularWeight: 555.85434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C([C]3[CH][CH][CH][CH]3)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C([C]3[CH][CH][CH][CH]3)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C42H51/c1-39(2,3)28-17-21-30-32(23-19-28)36(41(7,8)9)25-34(30)38(27-15-13-14-16-27)35-26-37(42(10,11)12)33-24-20-29(40(4,5)6)18-22-31(33)35/h13-26,38H,1-12H3