trisodium (3E)-4-oxidanylidene-7-[(5-oxidanyl-7-sulfonato-naphthalen-2-yl)carbamoylamino]-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (3E)-4-oxidanylidene-7-[(5-oxidanyl-7-sulfonato-naphthalen-2-yl)carbamoylamino]-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (3E)-7-[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoylamino]-4-oxo-3-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (3E)-7-[[[(5-hydroxy-7-sulfonato-2-naphthalenyl)amino]-oxomethyl]amino]-4-oxo-3-[(4-sulfonato-1-naphthalenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (3E)-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-4-oxo-3-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (3E)-7-[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoylamino]-4-keto-3-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-2-sulfonate Formula: C31H19N4Na3O12S3 MolecularWeight: 804.66647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC(=O)NC5=CC6=CC(=CC(=C6C=C5)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)NC(=O)NC5=CC6=CC(=CC(=C6C=C5)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C31H22N4O12S3.3Na/c36-26-15-20(48(39,40)41)13-16-11-18(5-7-21(16)26)32-31(38)33-19-6-8-22-17(12-19)14-28(50(45,46)47)29(30(22)37)35-34-25-9-10-27(49(42,43)44)24-4-2-1-3-23(24)25;;;/h1-15,34,36H,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b35-29-;;;