(4E)-4-[[2,6-bis(tert-butylsulfanyl)pyrylium-4-yl]methylidene]-2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-3-oxidanyl-cyclobut-2-en-1-one hydroxide

Systemtic Name: (4E)-4-[[2,6-bis(tert-butylsulfanyl)pyrylium-4-yl]methylidene]-2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-3-oxidanyl-cyclobut-2-en-1-one hydroxide Openeye Name: (4E)-4-[[2,6-bis(tert-butylsulfanyl)pyrylium-4-yl]methylene]-2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-3-hydroxy-cyclobut-2-en-1-one hydroxide CAS Name: (4E)-4-[[2,6-bis(tert-butylthio)-4-pyryliumyl]methylidene]-2-[(2,6-ditert-butyl-4-thiopyranylidene)methyl]-3-hydroxy-1-cyclobut-2-enone hydroxide IUPAC Name: (4E)-4-[[2,6-bis(tert-butylsulfanyl)pyrylium-4-yl]methylidene]-2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-3-hydroxycyclobut-2-en-1-one hydroxide Traditional Name: (4E)-4-[[2,6-bis(tert-butylthio)pyrylium-4-yl]methylene]-2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-3-hydroxy-cyclobut-2-en-1-one hydroxide Formula: C32H44O4S3 MolecularWeight: 588.88436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC2=C(C(=CC3=CC(=[O+]C(=C3)SC(C)(C)C)SC(C)(C)C)C2=O)O)C=C(S1)C(C)(C)C.[OH-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC2=C(/C(=C\C3=CC(=[O+]C(=C3)SC(C)(C)C)SC(C)(C)C)/C2=O)O)C=C(S1)C(C)(C)C.[OH-]

InChI

InChI=1S/C32H42O3S3.H2O/c1-29(2,3)23-15-19(16-24(36-23)30(4,5)6)13-21-27(33)22(28(21)34)14-20-17-25(37-31(7,8)9)35-26(18-20)38-32(10,11)12;/h13-18H,1-12H3;1H2