(3E)-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3E)-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3E)-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3E)-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3E)-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3E)-4-keto-3-[[2-methoxy-5-methyl-4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-2,7-disulfonic acid Formula: C20H20N2O14S4 MolecularWeight: 640.6378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)NN=C2C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H20N2O14S4/c1-11-7-15(16(35-2)10-17(11)37(24,25)6-5-36-40(32,33)34)21-22-19-18(39(29,30)31)9-12-8-13(38(26,27)28)3-4-14(12)20(19)23/h3-4,7-10,21H,5-6H2,1-2H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)/b22-19-