disodium (3E)-7-(decanoylamino)-4-oxidanylidene-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: disodium (3E)-7-(decanoylamino)-4-oxidanylidene-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: disodium (3E)-7-(decanoylamino)-4-oxo-3-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: disodium (3E)-4-oxo-7-(1-oxodecylamino)-3-[(2-sulfonatophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: disodium (3E)-7-(decanoylamino)-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: disodium (3E)-7-(caprylamino)-4-keto-3-[(2-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate Formula: C26H29N3Na2O8S2 MolecularWeight: 621.6333

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C26H31N3O8S2.2Na/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);;/q;2*+1/p-2/b29-25-;;