sodium 4-[(2Z)-6-chloranyl-2-[(E)-3-[6-chloranyl-4-(4-sulfonatobutyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium-2-yl]prop-2-enylidene]-[1,3]thiazolo[4,5-b]pyridin-4-yl]butane-1-sulfonate

Systemtic Name: sodium 4-[(2Z)-6-chloranyl-2-[(E)-3-[6-chloranyl-4-(4-sulfonatobutyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium-2-yl]prop-2-enylidene]-[1,3]thiazolo[4,5-b]pyridin-4-yl]butane-1-sulfonate Openeye Name: sodium 4-[(2Z)-6-chloro-2-[(E)-3-[6-chloro-4-(4-sulfonatobutyl)thiazolo[4,5-b]pyridin-4-ium-2-yl]prop-2-enylidene]thiazolo[4,5-b]pyridin-4-yl]butane-1-sulfonate CAS Name: sodium 4-[(2Z)-6-chloro-2-[(E)-3-[6-chloro-4-(4-sulfonatobutyl)-2-thiazolo[4,5-b]pyridin-4-iumyl]prop-2-enylidene]-4-thiazolo[4,5-b]pyridinyl]-1-butanesulfonate IUPAC Name: sodium 4-[(2Z)-6-chloro-2-[(E)-3-[6-chloro-4-(4-sulfonatobutyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium-2-yl]prop-2-enylidene]-[1,3]thiazolo[4,5-b]pyridin-4-yl]butane-1-sulfonate Traditional Name: sodium 4-[(2Z)-6-chloro-2-[(E)-3-[6-chloro-4-(4-sulfonatobutyl)thiazolo[4,5-b]pyridin-4-ium-2-yl]prop-2-enylidene]thiazolo[4,5-b]pyridin-4-yl]butane-1-sulfonate Formula: C23H23Cl2N4NaO6S4 MolecularWeight: 673.60769

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC(=CC=CC3=NC4=[N+](C=C(C=C4S3)Cl)CCCCS(=O)(=O)[O-])S2)N(C=C1Cl)CCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=C2C(=N/C(=C/C=C/C3=NC4=[N+](C=C(C=C4S3)Cl)CCCCS(=O)(=O)[O-])/S2)N(C=C1Cl)CCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H24Cl2N4O6S4.Na/c24-16-12-18-22(28(14-16)8-1-3-10-38(30,31)32)26-20(36-18)6-5-7-21-27-23-19(37-21)13-17(25)15-29(23)9-2-4-11-39(33,34)35;/h5-7,12-15H,1-4,8-11H2,(H-,30,31,32,33,34,35);/q;+1/p-1