sodium (6E)-4-acetamido-6-[(2-dodecoxyphenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium (6E)-4-acetamido-6-[(2-dodecoxyphenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium (6E)-4-acetamido-6-[(2-dodecoxyphenyl)hydrazono]-5-oxo-naphthalene-2-sulfonate CAS Name: sodium (6E)-4-acetamido-6-[(2-dodecoxyphenyl)hydrazinylidene]-5-oxo-2-naphthalenesulfonate IUPAC Name: sodium (6E)-4-acetamido-6-[(2-dodecoxyphenyl)hydrazinylidene]-5-oxonaphthalene-2-sulfonate Traditional Name: sodium (6E)-4-acetamido-5-keto-6-[(2-lauryloxyphenyl)hydrazono]naphthalene-2-sulfonate Formula: C30H38N3NaO6S MolecularWeight: 591.69399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC=C1NN=C2C=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC=C1N/N=C/2\C=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C30H39N3O6S.Na/c1-3-4-5-6-7-8-9-10-11-14-19-39-28-16-13-12-15-25(28)32-33-26-18-17-23-20-24(40(36,37)38)21-27(31-22(2)34)29(23)30(26)35;/h12-13,15-18,20-21,32H,3-11,14,19H2,1-2H3,(H,31,34)(H,36,37,38);/q;+1/p-1/b33-26+;