About (4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate
(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate (PubChem CID 162257925) has the molecular formula C176H242O10S10
and a molecular weight of 2838.53 g/mol. Its IUPAC name is (4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate.
Frequently Asked Questions
What is the IUPAC name of (4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate?
The IUPAC name of (4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate (CID 162257925) is (4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate.
What is the SMILES notation for (4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate?
The canonical SMILES for (4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate is CC(C)CC1=C/C(=C/C2=C([O-])C(=Cc3cc(CCC(C)(C)C)[s+]c(CC(C)C)c3)C2=O)C=C(CCC(C)(C)C)S1.CC(C)CC1=CC(=CC2=C([O-])C(=Cc3cc(CC(C)C)[s+]c(C(C)C)c3)C2=O)C=C(C(C)C)S1.CC(C)CCC1=C/C(=C/C2=C([O-])/C(=C/c3cc(CCC(C)C)[s+]c(C(C)C)c3)C2=O)C=C(C(C)C)S1.CC(C)CCC1=C/C(=C/C2=C([O-])/C(=C/c3cc(CCC(C)C)[s+]c(CCC(C)(C)C)c3)C2=O)C=C(CCC(C)(C)C)S1.CC(C)CCCC1=C/C(=C/C2=C([O-])/C(=C/c3cc(CCCC(C)C)[s+]c(CCC(C)(C)C)c3)C2=O)C=C(CCC(C)(C)C)S1.
What is the InChIKey of (4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate?
The InChIKey is ZYVQBWVIXZLQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58O2S2.C38H54O2S2.C36H50O2S2.C32H42O2S2.C30H38O2S2/c1-27(2)13-11-15-31-21-29(23-33(43-31)17-19-39(5,6)7)25-35-37(41)36(38(35)42)26-30-22-32(16-12-14-28(3)4)44-34(24-30)18-20-40(8,9)10;1-25(2)11-13-29-19-27(21-31(41-29)15-17-37(5,6)7)23-33-35(39)34(36(33)40)24-28-20-30(14-12-26(3)4)42-32(22-28)16-18-38(8,9)10;1-23(2)15-29-19-25(17-27(39-29)11-13-35(5,6)7)21-31-33(37)32(34(31)38)22-26-18-28(12-14-36(8,9)10)40-30(20-26)16-24(3)4;1-19(2)9-11-25-13-23(17-29(35-25)21(5)6)15-27-31(33)28(32(27)34)16-24-14-26(12-10-20(3)4)36-30(18-24)22(7)8;1-17(2)9-23-11-21(15-27(33-23)19(5)6)13-25-29(31)26(30(25)32)14-22-12-24(10-18(3)4)34-28(16-22)20(7)8/h21-28H,11-20H2,1-10H3;19-26H,11-18H2,1-10H3;17-24H,11-16H2,1-10H3;13-22H,9-12H2,1-8H3;11-20H,9-10H2,1-8H3.
What are the key properties of (4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate?
(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate has a molecular weight of 2838.53 g/mol, XLogP of 49.57, 54 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(3-methylbutyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(4-methylpentyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[(E)-[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyran-4-ylidene]methyl]-4-[[2-(3,3-dimethylbutyl)-6-(2-methylpropyl)thiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;(4Z)-2-[(Z)-[2-(3-methylbutyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(3-methylbutyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate;2-[[2-(2-methylpropyl)-6-propan-2-ylthiopyran-4-ylidene]methyl]-4-[[2-(2-methylpropyl)-6-propan-2-ylthiopyrylium-4-yl]methylidene]-3-oxocyclobuten-1-olate is sourced from PubChem (CID 162257925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).