(3Z)-5-methyl-3-[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-5-methyl-3-[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3Z)-5-methyl-3-[(4-methyl-2-sulfo-phenyl)hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3Z)-5-methyl-3-[(4-methyl-2-sulfophenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3Z)-5-methyl-3-[(4-methyl-2-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3Z)-4-keto-5-methyl-3-[(4-methyl-2-sulfo-phenyl)hydrazono]naphthalene-2-sulfonic acid Formula: C18H16N2O7S2 MolecularWeight: 436.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=CC3=C(C2=O)C(=CC=C3)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C/2\C(=CC3=C(C2=O)C(=CC=C3)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H16N2O7S2/c1-10-6-7-13(14(8-10)28(22,23)24)19-20-17-15(29(25,26)27)9-12-5-3-4-11(2)16(12)18(17)21/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-17+