(8Z)-8-[[4-(2-azanylethyl)phenyl]hydrazinylidene]-7-oxidanylidene-naphthalene-1,3-disulfonic acid

Systemtic Name: (8Z)-8-[[4-(2-azanylethyl)phenyl]hydrazinylidene]-7-oxidanylidene-naphthalene-1,3-disulfonic acid Openeye Name: (8Z)-8-[[4-(2-aminoethyl)phenyl]hydrazono]-7-oxo-naphthalene-1,3-disulfonic acid CAS Name: (8Z)-8-[[4-(2-aminoethyl)phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonic acid IUPAC Name: (8Z)-8-[[4-(2-aminoethyl)phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonic acid Traditional Name: (8Z)-8-[[4-(2-aminoethyl)phenyl]hydrazono]-7-keto-naphthalene-1,3-disulfonic acid Formula: C18H17N3O7S2 MolecularWeight: 451.47348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCN)N/N=C/2\C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H17N3O7S2/c19-8-7-11-1-4-13(5-2-11)20-21-18-15(22)6-3-12-9-14(29(23,24)25)10-16(17(12)18)30(26,27)28/h1-6,9-10,20H,7-8,19H2,(H,23,24,25)(H,26,27,28)/b21-18+