N-[(4Z)-4-[[2,6-bis(tert-butylsulfanyl)pyrylium-4-yl]methylidene]-2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-3-oxidanylidene-cyclobuten-1-yl]butane-1-sulfonamide hydroxide

Systemtic Name: N-[(4Z)-4-[[2,6-bis(tert-butylsulfanyl)pyrylium-4-yl]methylidene]-2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-3-oxidanylidene-cyclobuten-1-yl]butane-1-sulfonamide hydroxide Openeye Name: N-[(4Z)-4-[[2,6-bis(tert-butylsulfanyl)pyrylium-4-yl]methylene]-2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-3-oxo-cyclobuten-1-yl]butane-1-sulfonamide hydroxide CAS Name: N-[(4Z)-4-[[2,6-bis(tert-butylthio)-4-pyryliumyl]methylidene]-2-[(2,6-ditert-butyl-4-thiopyranylidene)methyl]-3-oxo-1-cyclobutenyl]-1-butanesulfonamide hydroxide IUPAC Name: N-[(4Z)-4-[[2,6-bis(tert-butylsulfanyl)pyrylium-4-yl]methylidene]-2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-3-oxocyclobuten-1-yl]butane-1-sulfonamide hydroxide Traditional Name: N-[(4Z)-4-[[2,6-bis(tert-butylthio)pyrylium-4-yl]methylene]-2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-3-keto-cyclobuten-1-yl]butane-1-sulfonamide hydroxide Formula: C36H53NO5S4 MolecularWeight: 708.06972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=C(C(=O)C1=CC2=CC(=[O+]C(=C2)SC(C)(C)C)SC(C)(C)C)C=C3C=C(SC(=C3)C(C)(C)C)C(C)(C)C.[OH-]

Isomeric SMILES

CCCCS(=O)(=O)NC\1=C(C(=O)/C1=C\C2=CC(=[O+]C(=C2)SC(C)(C)C)SC(C)(C)C)C=C3C=C(SC(=C3)C(C)(C)C)C(C)(C)C.[OH-]

InChI

InChI=1S/C36H51NO4S4.H2O/c1-14-15-16-45(39,40)37-31-25(17-23-19-27(33(2,3)4)42-28(20-23)34(5,6)7)32(38)26(31)18-24-21-29(43-35(8,9)10)41-30(22-24)44-36(11,12)13;/h17-22H,14-16H2,1-13H3;1H2/b26-18-;