trisodium (3Z)-5-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-acetamido-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-acetamido-4-keto-3-[[4-methoxy-3-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C21H18N3Na3O15S4 MolecularWeight: 749.60803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=NNC3=CC(=C(C=C3)OC)S(=O)(=O)CCOS(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(/C(=N\NC3=CC(=C(C=C3)OC)S(=O)(=O)CCOS(=O)(=O)[O-])/C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C21H21N3O15S4.3Na/c1-11(25)22-15-10-14(41(29,30)31)7-12-8-18(42(32,33)34)20(21(26)19(12)15)24-23-13-3-4-16(38-2)17(9-13)40(27,28)6-5-39-43(35,36)37;;;/h3-4,7-10,23H,5-6H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3/b24-20+;;;