disodium (3E)-4-oxidanylidene-3-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate

Systemtic Name: disodium (3E)-4-oxidanylidene-3-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate Openeye Name: disodium (3E)-4-oxo-3-[(4-sulfo-1-naphthyl)hydrazono]naphthalene-1-sulfonate CAS Name: disodium (3E)-4-oxo-3-[(4-sulfo-1-naphthalenyl)hydrazinylidene]-1-naphthalenesulfonate IUPAC Name: disodium (3E)-4-oxo-3-[(4-sulfonaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate Traditional Name: disodium (3E)-4-keto-3-[(4-sulfo-1-naphthyl)hydrazono]naphthalene-1-sulfonate Formula: C40H26N4Na2O14S4 MolecularWeight: 960.89238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=CC=C(C2=C1)N/N=C\3/C(=O)C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])S(=O)(=O)O.C1=CC=C2C(=CC=C(C2=C1)N/N=C\3/C(=O)C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/2C20H14N2O7S2.2Na/c2*23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h2*1-11,21H,(H,24,25,26)(H,27,28,29);;/q;;2*+1/p-2/b2*22-17+;;