lithium 3-[(2Z)-2-[2-methyl-3-[4-(3-sulfonatopropyl)-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl]cyclohex-2-en-1-ylidene]-[1,3]oxazolo[4,5-b]pyridin-4-yl]propane-1-sulfonate

Systemtic Name: lithium 3-[(2Z)-2-[2-methyl-3-[4-(3-sulfonatopropyl)-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl]cyclohex-2-en-1-ylidene]-[1,3]oxazolo[4,5-b]pyridin-4-yl]propane-1-sulfonate Openeye Name: lithium 3-[(2Z)-2-[2-methyl-3-[4-(3-sulfonatopropyl)oxazolo[4,5-b]pyridin-4-ium-2-yl]cyclohex-2-en-1-ylidene]oxazolo[4,5-b]pyridin-4-yl]propane-1-sulfonate CAS Name: lithium 3-[(2Z)-2-[2-methyl-3-[4-(3-sulfonatopropyl)-2-oxazolo[4,5-b]pyridin-4-iumyl]-1-cyclohex-2-enylidene]-4-oxazolo[4,5-b]pyridinyl]-1-propanesulfonate IUPAC Name: lithium 3-[(2Z)-2-[2-methyl-3-[4-(3-sulfonatopropyl)-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl]cyclohex-2-en-1-ylidene]-[1,3]oxazolo[4,5-b]pyridin-4-yl]propane-1-sulfonate Traditional Name: lithium 3-[(2Z)-2-[2-methyl-3-[4-(3-sulfonatopropyl)oxazolo[4,5-b]pyridin-4-ium-2-yl]cyclohex-2-en-1-ylidene]oxazolo[4,5-b]pyridin-4-yl]propane-1-sulfonate Formula: C25H27LiN4O8S2 MolecularWeight: 582.57488

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=C(CCCC1=C2N=C3C(=CC=CN3CCCS(=O)(=O)[O-])O2)C4=NC5=C(O4)C=CC=[N+]5CCCS(=O)(=O)[O-]

Isomeric SMILES

[Li+].CC\1=C(CCC/C1=C/2\N=C3C(=CC=CN3CCCS(=O)(=O)[O-])O2)C4=NC5=C(O4)C=CC=[N+]5CCCS(=O)(=O)[O-]

InChI

InChI=1S/C25H28N4O8S2.Li/c1-17-18(24-26-22-20(36-24)9-3-11-28(22)13-5-15-38(30,31)32)7-2-8-19(17)25-27-23-21(37-25)10-4-12-29(23)14-6-16-39(33,34)35;/h3-4,9-12H,2,5-8,13-16H2,1H3,(H-,30,31,32,33,34,35);/q;+1/p-1