trisodium (3E)-7-acetamido-4-oxidanylidene-3-[[6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (3E)-7-acetamido-4-oxidanylidene-3-[[6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (3E)-7-acetamido-4-oxo-3-[[6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (3E)-7-acetamido-4-oxo-3-[[6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)-2-naphthalenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (3E)-7-acetamido-4-oxo-3-[[6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (3E)-7-acetamido-4-keto-3-[[8-(2-sulfatoethylsulfonyl)-6-sulfonato-2-naphthyl]hydrazono]naphthalene-2-sulfonate Formula: C24H18N3Na3O14S4 MolecularWeight: 769.64073

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=O)C(=NNC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=O)/C(=N\NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-])/C(=C2)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H21N3O14S4.3Na/c1-13(28)25-16-4-5-19-15(8-16)10-22(44(35,36)37)23(24(19)29)27-26-17-3-2-14-9-18(43(32,33)34)12-21(20(14)11-17)42(30,31)7-6-41-45(38,39)40;;;/h2-5,8-12,26H,6-7H2,1H3,(H,25,28)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/b27-23-;;;