disodium (3E)-3-[(2,4-dimethyl-5-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonate

Systemtic Name: disodium (3E)-3-[(2,4-dimethyl-5-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonate Openeye Name: disodium (3E)-3-[(2,4-dimethyl-5-sulfo-phenyl)hydrazono]-4-oxo-naphthalene-1-sulfonate CAS Name: disodium (3E)-3-[(2,4-dimethyl-5-sulfophenyl)hydrazinylidene]-4-oxo-1-naphthalenesulfonate IUPAC Name: disodium (3E)-3-[(2,4-dimethyl-5-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-1-sulfonate Traditional Name: disodium (3E)-3-[(2,4-dimethyl-5-sulfo-phenyl)hydrazono]-4-keto-naphthalene-1-sulfonate Formula: C36H30N4Na2O14S4 MolecularWeight: 916.88134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)O)C.CC1=CC(=C(C=C1NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)O)C.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N/N=C\2/C(=O)C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])S(=O)(=O)O)C.CC1=CC(=C(C=C1N/N=C\2/C(=O)C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])S(=O)(=O)O)C.[Na+].[Na+]

InChI

InChI=1S/2C18H16N2O7S2.2Na/c2*1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h2*3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;;2*+1/p-2/b2*20-15+;;