trisodium (6Z)-4-acetamido-6-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonate

Systemtic Name: trisodium (6Z)-4-acetamido-6-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonate Openeye Name: trisodium (6Z)-4-acetamido-6-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-5-oxo-naphthalene-1,7-disulfonate CAS Name: trisodium (6Z)-4-acetamido-6-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonate IUPAC Name: trisodium (6Z)-4-acetamido-6-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonate Traditional Name: trisodium (6Z)-4-acetamido-5-keto-6-[[4-methoxy-3-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-1,7-disulfonate Formula: C21H18N3Na3O15S4 MolecularWeight: 749.60803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=C(C=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(=C(C=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)22-14-4-6-16(41(29,30)31)13-10-18(42(32,33)34)20(21(26)19(13)14)24-23-12-3-5-15(38-2)17(9-12)40(27,28)8-7-39-43(35,36)37;;;/h3-6,9-10,23H,7-8H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3/b24-20+;;;