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

Systemtic Name: 5-[bis(3,6-ditert-butylazulen-1-yl)methyl]thiophene-2-carbaldehyde Openeye Name: 5-[bis(3,6-ditert-butylazulen-1-yl)methyl]thiophene-2-carbaldehyde CAS Name: 5-[bis(3,6-ditert-butyl-1-azulenyl)methyl]-2-thiophenecarboxaldehyde IUPAC Name: 5-[bis(3,6-ditert-butylazulen-1-yl)methyl]thiophene-2-carbaldehyde Traditional Name: 5-[bis(3,6-ditert-butylazulen-1-yl)methyl]thiophene-2-carbaldehyde Formula: C42H50OS MolecularWeight: 602.9108

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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=O)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=O)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C42H50OS/c1-39(2,3)26-13-18-29-31(20-15-26)35(41(7,8)9)23-33(29)38(37-22-17-28(25-43)44-37)34-24-36(42(10,11)12)32-21-16-27(40(4,5)6)14-19-30(32)34/h13-25,38H,1-12H3