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

Systemtic Name: 5-[bis(3,6-ditert-butylazulen-1-yl)methyl]thieno[3,2-b]thiophene-2-carbaldehyde Openeye Name: 5-[bis(3,6-ditert-butylazulen-1-yl)methyl]thieno[3,2-b]thiophene-2-carbaldehyde CAS Name: 5-[bis(3,6-ditert-butyl-1-azulenyl)methyl]-2-thieno[3,2-b]thiophenecarboxaldehyde IUPAC Name: 5-[bis(3,6-ditert-butylazulen-1-yl)methyl]thieno[3,2-b]thiophene-2-carbaldehyde Traditional Name: 5-[bis(3,6-ditert-butylazulen-1-yl)methyl]thieno[3,2-b]thiophene-2-carbaldehyde Formula: C44H50OS2 MolecularWeight: 658.9972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(C3=CC4=C(S3)C=C(S4)C=O)C5=C6C=CC(=CC=C6C(=C5)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=CC4=C(S3)C=C(S4)C=O)C5=C6C=CC(=CC=C6C(=C5)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C44H50OS2/c1-41(2,3)26-13-17-29-31(19-15-26)35(43(7,8)9)22-33(29)40(39-24-38-37(47-39)21-28(25-45)46-38)34-23-36(44(10,11)12)32-20-16-27(42(4,5)6)14-18-30(32)34/h13-25,40H,1-12H3