3-[(4E)-4-[(4Z)-6-(4-methoxyphenyl)-4-[6-oxidanylidene-4-(2-oxidanyl-3-sulfonato-propoxy)cyclohexa-2,4-dien-1-ylidene]-1H-1,3,5-triazin-2-ylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxy-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[(4E)-4-[(4Z)-6-(4-methoxyphenyl)-4-[6-oxidanylidene-4-(2-oxidanyl-3-sulfonato-propoxy)cyclohexa-2,4-dien-1-ylidene]-1H-1,3,5-triazin-2-ylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxy-2-oxidanyl-propane-1-sulfonate Openeye Name: 2-hydroxy-3-[(4E)-4-[(4Z)-4-[4-(2-hydroxy-3-sulfonato-propoxy)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-6-(4-methoxyphenyl)-1H-1,3,5-triazin-2-ylidene]-3-oxo-cyclohexa-1,5-dien-1-yl]oxy-propane-1-sulfonate CAS Name: 2-hydroxy-3-[[(4E)-4-[(4Z)-4-[4-(2-hydroxy-3-sulfonatopropoxy)-6-oxo-1-cyclohexa-2,4-dienylidene]-6-(4-methoxyphenyl)-1H-1,3,5-triazin-2-ylidene]-3-oxo-1-cyclohexa-1,5-dienyl]oxy]-1-propanesulfonate IUPAC Name: 2-hydroxy-3-[(4E)-4-[(4Z)-4-[4-(2-hydroxy-3-sulfonatopropoxy)-6-oxocyclohexa-2,4-dien-1-ylidene]-6-(4-methoxyphenyl)-1H-1,3,5-triazin-2-ylidene]-3-oxocyclohexa-1,5-dien-1-yl]oxypropane-1-sulfonate Traditional Name: 2-hydroxy-3-[(4E)-4-[(4Z)-4-[4-(2-hydroxy-3-sulfonato-propoxy)-6-keto-cyclohexa-2,4-dien-1-ylidene]-6-(4-methoxyphenyl)-1H-s-triazin-2-ylidene]-3-keto-cyclohexa-1,5-dien-1-yl]oxy-propane-1-sulfonate Formula: C28H27N3O13S2-2 MolecularWeight: 677.65628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C3C=CC(=CC3=O)OCC(CS(=O)(=O)[O-])O)NC(=C4C=CC(=CC4=O)OCC(CS(=O)(=O)[O-])O)N2

Isomeric SMILES

COC1=CC=C(C=C1)C2=N/C(=C\3/C=CC(=CC3=O)OCC(CS(=O)(=O)[O-])O)/N/C(=C\4/C=CC(=CC4=O)OCC(CS(=O)(=O)[O-])O)/N2

InChI

InChI=1S/C28H29N3O13S2/c1-42-19-4-2-16(3-5-19)26-29-27(22-8-6-20(10-24(22)34)43-12-17(32)14-45(36,37)38)31-28(30-26)23-9-7-21(11-25(23)35)44-13-18(33)15-46(39,40)41/h2-11,17-18,31-33H,12-15H2,1H3,(H,29,30)(H,36,37,38)(H,39,40,41)/p-2/b27-22-,28-23+