(3Z)-3-[[3-heptadecyl-5-oxidanylidene-1-(4-phenoxy-3-sulfo-phenyl)-4H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: (3Z)-3-[[3-heptadecyl-5-oxidanylidene-1-(4-phenoxy-3-sulfo-phenyl)-4H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: (3Z)-3-[[3-heptadecyl-5-oxo-1-(4-phenoxy-3-sulfo-phenyl)-4H-pyrazol-4-yl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3Z)-3-[[3-heptadecyl-5-oxo-1-(4-phenoxy-3-sulfophenyl)-4H-pyrazol-4-yl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3Z)-3-[[3-heptadecyl-5-oxo-1-(4-phenoxy-3-sulfophenyl)-4H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: (3Z)-3-[[3-heptadecyl-5-keto-1-(4-phenoxy-3-sulfo-phenyl)-2-pyrazolin-4-yl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C39H50N4O8S MolecularWeight: 734.9013

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1NN=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1N/N=C\2/C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C39H50N4O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33-37(41-40-29-23-25-34(44)32(27-29)39(46)47)38(45)43(42-33)30-24-26-35(36(28-30)52(48,49)50)51-31-20-17-16-18-21-31/h16-18,20-21,23-28,37,41H,2-15,19,22H2,1H3,(H,46,47)(H,48,49,50)/b40-29-