2-(2,6-ditert-butylthiopyran-4-ylidene)-5-(2,6-ditert-butylthiopyrylium-4-yl)pyrrol-1-ium

Systemtic Name: 2-(2,6-ditert-butylthiopyran-4-ylidene)-5-(2,6-ditert-butylthiopyrylium-4-yl)pyrrol-1-ium Openeye Name: 2-(2,6-ditert-butylthiopyran-4-ylidene)-5-(2,6-ditert-butylthiopyrylium-4-yl)pyrrol-1-ium CAS Name: 2-(2,6-ditert-butyl-4-thiopyranylidene)-5-(2,6-ditert-butyl-4-thiopyryliumyl)pyrrol-1-ium IUPAC Name: 2-(2,6-ditert-butylthiopyran-4-ylidene)-5-(2,6-ditert-butylthiopyrylium-4-yl)pyrrol-1-ium Traditional Name: 2-(2,6-ditert-butylthiopyran-4-ylidene)-5-(2,6-ditert-butylthiopyrylium-4-yl)pyrrol-1-ium Formula: C30H43NS2+2 MolecularWeight: 481.79912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=CC(=[NH+]2)C3=CC(=[S+]C(=C3)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=CC(=[NH+]2)C3=CC(=[S+]C(=C3)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C

InChI

InChI=1S/C30H42NS2/c1-27(2,3)23-15-19(16-24(32-23)28(4,5)6)21-13-14-22(31-21)20-17-25(29(7,8)9)33-26(18-20)30(10,11)12/h13-18H,1-12H3/q+1/p+1