disodium 6-ethanoylimino-4-oxidanylidene-2-[2-[3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinyl]naphthalene-1-sulfonate

Systemtic Name: disodium 6-ethanoylimino-4-oxidanylidene-2-[2-[3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinyl]naphthalene-1-sulfonate Openeye Name: disodium 6-acetylimino-4-oxo-2-[2-[3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazino]naphthalene-1-sulfonate CAS Name: disodium 6-acetylimino-4-oxo-2-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazo]-1-naphthalenesulfonate IUPAC Name: disodium 6-acetylimino-4-oxo-2-[2-[3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinyl]naphthalene-1-sulfonate Traditional Name: disodium 6-acetylimino-4-keto-2-[N'-[3-(2-sulfatoethylsulfonyl)phenyl]hydrazino]naphthalene-1-sulfonate Formula: C20H17N3Na2O11S3 MolecularWeight: 617.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1C=CC2=C(C(=CC(=O)C2=C1)NNC3=CC(=CC=C3)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)N=C1C=CC2=C(C(=CC(=O)C2=C1)NNC3=CC(=CC=C3)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H19N3O11S3.2Na/c1-12(24)21-13-5-6-16-17(10-13)19(25)11-18(20(16)36(28,29)30)23-22-14-3-2-4-15(9-14)35(26,27)8-7-34-37(31,32)33;;/h2-6,9-11,22-23H,7-8H2,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2