(3Z)-5-acetamido-3-[[4-[5-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]-2-(hexadecanoylamino)-4-oxidanyl-phenoxy]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-5-acetamido-3-[[4-[5-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]-2-(hexadecanoylamino)-4-oxidanyl-phenoxy]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-acetamido-3-[[4-[5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-(hexadecanoylamino)-4-hydroxy-phenoxy]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-acetamido-3-[[4-[5-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-4-hydroxy-2-(1-oxohexadecylamino)phenoxy]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-acetamido-3-[[4-[5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-2-(hexadecanoylamino)-4-hydroxyphenoxy]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-acetamido-3-[[4-[5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-hydroxy-2-palmitamido-phenoxy]phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonic acid Formula: C44H50F7N5O12S2 MolecularWeight: 1038.012922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1OC2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1OC2=CC=C(C=C2)N/N=C/3\C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C44H50F7N5O12S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-37(59)53-32-24-34(58)31(54-41(61)42(45,46)43(47,48)44(49,50)51)25-35(32)68-29-19-17-28(18-20-29)55-56-39-36(70(65,66)67)22-27-21-30(69(62,63)64)23-33(52-26(2)57)38(27)40(39)60/h17-25,55,58H,3-16H2,1-2H3,(H,52,57)(H,53,59)(H,54,61)(H,62,63,64)(H,65,66,67)/b56-39+