2-[bis(3,6-ditert-butylazulen-1-yl)methyl]-5-ethynyl-thiophene

Systemtic Name: 2-[bis(3,6-ditert-butylazulen-1-yl)methyl]-5-ethynyl-thiophene Openeye Name: 2-[bis(3,6-ditert-butylazulen-1-yl)methyl]-5-ethynyl-thiophene CAS Name: 2-[bis(3,6-ditert-butyl-1-azulenyl)methyl]-5-ethynylthiophene IUPAC Name: 2-[bis(3,6-ditert-butylazulen-1-yl)methyl]-5-ethynylthiophene Traditional Name: 2-[bis(3,6-ditert-butylazulen-1-yl)methyl]-5-ethynyl-thiophene Formula: C43H50S MolecularWeight: 598.9221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(C3=CC=C(S3)C#C)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(C3=CC=C(S3)C#C)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C43H50S/c1-14-29-19-24-38(44-29)39(34-25-36(42(8,9)10)32-22-17-27(40(2,3)4)15-20-30(32)34)35-26-37(43(11,12)13)33-23-18-28(41(5,6)7)16-21-31(33)35/h1,15-26,39H,2-13H3