7-[(4E)-4-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-5-methyl-naphthalene-1-sulfonic acid

Systemtic Name: 7-[(4E)-4-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-5-methyl-naphthalene-1-sulfonic acid Openeye Name: 7-[(4E)-4-[(5-amino-2-sulfo-phenyl)hydrazono]-3-methyl-5-oxo-pyrazol-1-yl]-5-methyl-naphthalene-1-sulfonic acid CAS Name: 7-[(4E)-4-[(5-amino-2-sulfophenyl)hydrazinylidene]-3-methyl-5-oxo-1-pyrazolyl]-5-methyl-1-naphthalenesulfonic acid IUPAC Name: 7-[(4E)-4-[(5-amino-2-sulfophenyl)hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]-5-methylnaphthalene-1-sulfonic acid Traditional Name: 7-[(4E)-4-[(5-amino-2-sulfo-phenyl)hydrazono]-5-keto-3-methyl-2-pyrazolin-1-yl]-5-methyl-naphthalene-1-sulfonic acid Formula: C21H19N5O7S2 MolecularWeight: 517.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=C(C2=CC(=C1)N3C(=O)C(=NNC4=C(C=CC(=C4)N)S(=O)(=O)O)C(=N3)C)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=CC=C(C2=CC(=C1)N3C(=O)/C(=N/NC4=C(C=CC(=C4)N)S(=O)(=O)O)/C(=N3)C)S(=O)(=O)O

InChI

InChI=1S/C21H19N5O7S2/c1-11-8-14(10-16-15(11)4-3-5-18(16)34(28,29)30)26-21(27)20(12(2)25-26)24-23-17-9-13(22)6-7-19(17)35(31,32)33/h3-10,23H,22H2,1-2H3,(H,28,29,30)(H,31,32,33)/b24-20+