(3E)-7-(decanoylamino)-4-oxidanylidene-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-7-(decanoylamino)-4-oxidanylidene-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3E)-7-(decanoylamino)-4-oxo-3-[(2-sulfophenyl)hydrazono]naphthalene-2-sulfonic acid CAS Name: (3E)-4-oxo-7-(1-oxodecylamino)-3-[(2-sulfophenyl)hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (3E)-7-(decanoylamino)-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (3E)-7-(caprylamino)-4-keto-3-[(2-sulfophenyl)hydrazono]naphthalene-2-sulfonic acid Formula: C26H31N3O8S2 MolecularWeight: 577.66964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC2=C(C=C1)C(=O)C(=NNC3=CC=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC2=C(C=C1)C(=O)/C(=N\NC3=CC=CC=C3S(=O)(=O)O)/C(=C2)S(=O)(=O)O

InChI

InChI=1S/C26H31N3O8S2/c1-2-3-4-5-6-7-8-13-24(30)27-19-14-15-20-18(16-19)17-23(39(35,36)37)25(26(20)31)29-28-21-11-9-10-12-22(21)38(32,33)34/h9-12,14-17,28H,2-8,13H2,1H3,(H,27,30)(H,32,33,34)(H,35,36,37)/b29-25-