(6Z)-2-acetamido-6-[[4-(2-azanylethanoyl)phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonic acid

Systemtic Name: (6Z)-2-acetamido-6-[[4-(2-azanylethanoyl)phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonic acid Openeye Name: (6Z)-2-acetamido-6-[[4-(2-aminoacetyl)phenyl]hydrazono]-5-oxo-naphthalene-1,7-disulfonic acid CAS Name: (6Z)-2-acetamido-6-[[4-(2-amino-1-oxoethyl)phenyl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonic acid IUPAC Name: (6Z)-2-acetamido-6-[[4-(2-aminoacetyl)phenyl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonic acid Traditional Name: (6Z)-2-acetamido-6-[(4-glycylphenyl)hydrazono]-5-keto-naphthalene-1,7-disulfonic acid Formula: C20H18N4O9S2 MolecularWeight: 522.50832

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18N4O9S2/c1-10(25)22-15-7-6-13-14(20(15)35(31,32)33)8-17(34(28,29)30)18(19(13)27)24-23-12-4-2-11(3-5-12)16(26)9-21/h2-8,23H,9,21H2,1H3,(H,22,25)(H,28,29,30)(H,31,32,33)/b24-18+