(2E)-3-ethyl-2-[(E,4E)-4-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-enylidene]-1,3-benzoxazole-4-sulfonic acid

Systemtic Name: (2E)-3-ethyl-2-[(E,4E)-4-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-enylidene]-1,3-benzoxazole-4-sulfonic acid Openeye Name: (2E)-3-ethyl-2-[(E,4E)-4-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-enylidene]-1,3-benzoxazole-4-sulfonic acid CAS Name: (2E)-3-ethyl-2-[(E,4E)-4-[3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]but-2-enylidene]-1,3-benzoxazole-4-sulfonic acid IUPAC Name: (2E)-3-ethyl-2-[(E,4E)-4-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-enylidene]-1,3-benzoxazole-4-sulfonic acid Traditional Name: (2E)-3-ethyl-2-[(E,4E)-4-[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]but-2-enylidene]-1,3-benzoxazole-4-sulfonic acid Formula: C23H21N3O8S2 MolecularWeight: 531.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=CC=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)OC4=C1C(=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCN1/C(=C\C=C\C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)/OC4=C1C(=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C23H21N3O8S2/c1-3-25-21(34-19-8-6-9-20(22(19)25)36(31,32)33)10-5-4-7-18-15(2)24-26(23(18)27)16-11-13-17(14-12-16)35(28,29)30/h4-14H,3H2,1-2H3,(H,28,29,30)(H,31,32,33)/b5-4+,18-7+,21-10+