lithium 5-[(2E)-6-chloranyl-2-[[6-chloranyl-4-(4-sulfonatopentyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium-2-yl]methylidene]-[1,3]thiazolo[4,5-b]pyridin-4-yl]pentane-2-sulfonate

Systemtic Name: lithium 5-[(2E)-6-chloranyl-2-[[6-chloranyl-4-(4-sulfonatopentyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium-2-yl]methylidene]-[1,3]thiazolo[4,5-b]pyridin-4-yl]pentane-2-sulfonate Openeye Name: lithium 5-[(2E)-6-chloro-2-[[6-chloro-4-(4-sulfonatopentyl)thiazolo[4,5-b]pyridin-4-ium-2-yl]methylene]thiazolo[4,5-b]pyridin-4-yl]pentane-2-sulfonate CAS Name: lithium 5-[(2E)-6-chloro-2-[[6-chloro-4-(4-sulfonatopentyl)-2-thiazolo[4,5-b]pyridin-4-iumyl]methylidene]-4-thiazolo[4,5-b]pyridinyl]-2-pentanesulfonate IUPAC Name: lithium 5-[(2E)-6-chloro-2-[[6-chloro-4-(4-sulfonatopentyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium-2-yl]methylidene]-[1,3]thiazolo[4,5-b]pyridin-4-yl]pentane-2-sulfonate Traditional Name: lithium 5-[(2E)-6-chloro-2-[[6-chloro-4-(4-sulfonatopentyl)thiazolo[4,5-b]pyridin-4-ium-2-yl]methylene]thiazolo[4,5-b]pyridin-4-yl]pentane-2-sulfonate Formula: C23H25Cl2LiN4O6S4 MolecularWeight: 659.5748

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC(CCCN1C=C(C=C2C1=NC(=CC3=NC4=[N+](C=C(C=C4S3)Cl)CCCC(C)S(=O)(=O)[O-])S2)Cl)S(=O)(=O)[O-]

Isomeric SMILES

[Li+].CC(CCCN1C=C(C=C2C1=N/C(=C\C3=NC4=[N+](C=C(C=C4S3)Cl)CCCC(C)S(=O)(=O)[O-])/S2)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C23H26Cl2N4O6S4.Li/c1-14(38(30,31)32)5-3-7-28-12-16(24)9-18-22(28)26-20(36-18)11-21-27-23-19(37-21)10-17(25)13-29(23)8-4-6-15(2)39(33,34)35;/h9-15H,3-8H2,1-2H3,(H-,30,31,32,33,34,35);/q;+1/p-1