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

Systemtic Name: disodium (3E)-4-oxidanylidene-7-[(5-oxidanyl-7-sulfonato-naphthalen-2-yl)carbamoylamino]-3-(phenylhydrazinylidene)naphthalene-2-sulfonate Openeye Name: disodium (3E)-7-[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoylamino]-4-oxo-3-(phenylhydrazono)naphthalene-2-sulfonate CAS Name: disodium (3E)-7-[[[(5-hydroxy-7-sulfonato-2-naphthalenyl)amino]-oxomethyl]amino]-4-oxo-3-(phenylhydrazinylidene)-2-naphthalenesulfonate IUPAC Name: disodium (3E)-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2-sulfonate Traditional Name: disodium (3E)-7-[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoylamino]-4-keto-3-(phenylhydrazono)naphthalene-2-sulfonate Formula: C27H18N4Na2O9S2 MolecularWeight: 652.56276

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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=CC(=CC(=C5C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C27H20N4O9S2.2Na/c32-23-14-20(41(35,36)37)12-15-10-18(6-8-21(15)23)28-27(34)29-19-7-9-22-16(11-19)13-24(42(38,39)40)25(26(22)33)31-30-17-4-2-1-3-5-17;;/h1-14,30,32H,(H2,28,29,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b31-25-;;