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

Systemtic Name: 5-acetamido-3-[[5-methyl-2-oxidanyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: 5-acetamido-3-[[2-hydroxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: 5-acetamido-3-[[2-hydroxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: 5-acetamido-3-[[2-hydroxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: 5-acetamido-3-[[2-hydroxy-5-methyl-4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonic acid Formula: C21H21N3O15S4 MolecularWeight: 683.66254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)O)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)O)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H21N3O15S4/c1-10-5-14(16(26)9-17(10)40(28,29)4-3-39-43(36,37)38)23-24-20-18(42(33,34)35)7-12-6-13(41(30,31)32)8-15(22-11(2)25)19(12)21(20)27/h5-9,23,26H,3-4H2,1-2H3,(H,22,25)(H,30,31,32)(H,33,34,35)(H,36,37,38)