disodium 4-oxidanylidene-7-[[5-oxidanylidene-6-(phenylhydrazinylidene)-7-sulfonato-naphthalen-2-yl]carbamoylamino]-3-(phenylhydrazinylidene)naphthalene-2-sulfonate

Systemtic Name: disodium 4-oxidanylidene-7-[[5-oxidanylidene-6-(phenylhydrazinylidene)-7-sulfonato-naphthalen-2-yl]carbamoylamino]-3-(phenylhydrazinylidene)naphthalene-2-sulfonate Openeye Name: disodium 4-oxo-7-[[5-oxo-6-(phenylhydrazono)-7-sulfonato-2-naphthyl]carbamoylamino]-3-(phenylhydrazono)naphthalene-2-sulfonate CAS Name: disodium 4-oxo-7-[[oxo-[[5-oxo-6-(phenylhydrazinylidene)-7-sulfonato-2-naphthalenyl]amino]methyl]amino]-3-(phenylhydrazinylidene)-2-naphthalenesulfonate IUPAC Name: disodium 4-oxo-7-[[5-oxo-6-(phenylhydrazinylidene)-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-(phenylhydrazinylidene)naphthalene-2-sulfonate Traditional Name: disodium 4-keto-7-[[5-keto-6-(phenylhydrazono)-7-sulfonato-2-naphthyl]carbamoylamino]-3-(phenylhydrazono)naphthalene-2-sulfonate Formula: C33H22N6Na2O9S2 MolecularWeight: 756.67212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=CC=CC=C6)C(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=CC=CC=C6)C(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C33H24N6O9S2.2Na/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22;;/h1-18,36-37H,(H2,34,35,42)(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2