3-[bis(3,6-ditert-butylazulen-1-yl)methylidene]thiophen-1-ium

Systemtic Name: 3-[bis(3,6-ditert-butylazulen-1-yl)methylidene]thiophen-1-ium Openeye Name: 3-[bis(3,6-ditert-butylazulen-1-yl)methylene]thiophen-1-ium CAS Name: 3-[bis(3,6-ditert-butyl-1-azulenyl)methylidene]thiophen-1-ium IUPAC Name: 3-[bis(3,6-ditert-butylazulen-1-yl)methylidene]thiophen-1-ium Traditional Name: 3-[bis(3,6-ditert-butylazulen-1-yl)methylene]thiophen-1-ium Formula: C41H49S+ MolecularWeight: 573.89276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(=C3C=C[S+]=C3)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(=C3C=C[S+]=C3)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C41H49S/c1-38(2,3)27-13-17-29-31(19-15-27)35(40(7,8)9)23-33(29)37(26-21-22-42-25-26)34-24-36(41(10,11)12)32-20-16-28(39(4,5)6)14-18-30(32)34/h13-25H,1-12H3/q+1