disodium (3E)-5-acetamido-3-[(4-dodecylphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3E)-5-acetamido-3-[(4-dodecylphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3E)-5-acetamido-3-[(4-dodecylphenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3E)-5-acetamido-3-[(4-dodecylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3E)-5-acetamido-3-[(4-dodecylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3E)-5-acetamido-4-keto-3-[(4-laurylphenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C30H37N3Na2O8S2 MolecularWeight: 677.73962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)N/N=C\2/C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C30H39N3O8S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-24(17-15-22)32-33-29-27(43(39,40)41)19-23-18-25(42(36,37)38)20-26(31-21(2)34)28(23)30(29)35;;/h14-20,32H,3-13H2,1-2H3,(H,31,34)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-29-;;