trisodium (3Z)-6-acetamido-4-oxidanylidene-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (3Z)-6-acetamido-4-oxidanylidene-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (3Z)-6-acetamido-4-oxo-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthyl]hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (3Z)-6-acetamido-4-oxo-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthalenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (3Z)-6-acetamido-4-oxo-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (3Z)-6-acetamido-4-keto-3-[[6-(2-sulfatoethylsulfonyl)-1-sulfonato-2-naphthyl]hydrazono]naphthalene-2-sulfonate Formula: C24H18N3Na3O14S4 MolecularWeight: 769.64073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C=C(C(=NNC3=C(C4=C(C=C3)C=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(/C(=N\NC3=C(C4=C(C=C3)C=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])/C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

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