(6Z)-2-acetamido-6-[[3-(3-azanylpropanoyl)phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonic acid

Systemtic Name: (6Z)-2-acetamido-6-[[3-(3-azanylpropanoyl)phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonic acid Openeye Name: (6Z)-2-acetamido-6-[[3-(3-aminopropanoyl)phenyl]hydrazono]-5-oxo-naphthalene-1,7-disulfonic acid CAS Name: (6Z)-2-acetamido-6-[[3-(3-amino-1-oxopropyl)phenyl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonic acid IUPAC Name: (6Z)-2-acetamido-6-[[3-(3-aminopropanoyl)phenyl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonic acid Traditional Name: (6Z)-2-acetamido-6-[[3-(3-aminopropanoyl)phenyl]hydrazono]-5-keto-naphthalene-1,7-disulfonic acid Formula: C21H20N4O9S2 MolecularWeight: 536.5349

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(C=C1)C(=O)C(=NNC3=CC=CC(=C3)C(=O)CCN)C(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C(C2=C(C=C1)C(=O)/C(=N/NC3=CC=CC(=C3)C(=O)CCN)/C(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H20N4O9S2/c1-11(26)23-16-6-5-14-15(21(16)36(32,33)34)10-18(35(29,30)31)19(20(14)28)25-24-13-4-2-3-12(9-13)17(27)7-8-22/h2-6,9-10,24H,7-8,22H2,1H3,(H,23,26)(H,29,30,31)(H,32,33,34)/b25-19+