disodium (3Z)-5-acetamido-3-[[4-[3-(hexadecanoylamino)-4-oxidanyl-phenoxy]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-acetamido-3-[[4-[3-(hexadecanoylamino)-4-oxidanyl-phenoxy]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-acetamido-3-[[4-[3-(hexadecanoylamino)-4-hydroxy-phenoxy]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-acetamido-3-[[4-[4-hydroxy-3-(1-oxohexadecylamino)phenoxy]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-acetamido-3-[[4-[3-(hexadecanoylamino)-4-hydroxyphenoxy]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-acetamido-3-[[4-(4-hydroxy-3-palmitamido-phenoxy)phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C40H48N4Na2O11S2 MolecularWeight: 870.93886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)OC2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)OC2=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-])O.[Na+].[Na+]

InChI

InChI=1S/C40H50N4O11S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-37(47)42-33-25-31(21-22-35(33)46)55-30-19-17-29(18-20-30)43-44-39-36(57(52,53)54)24-28-23-32(56(49,50)51)26-34(41-27(2)45)38(28)40(39)48;;/h17-26,43,46H,3-16H2,1-2H3,(H,41,45)(H,42,47)(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2/b44-39+;;