3-[(4Z)-4-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[(4Z)-4-[(5-azanyl-2-sulfo-phenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[(4Z)-4-[(5-amino-2-sulfo-phenyl)hydrazono]-3-methyl-5-oxo-pyrazol-1-yl]naphthalene-1,5-disulfonic acid CAS Name: 3-[(4Z)-4-[(5-amino-2-sulfophenyl)hydrazinylidene]-3-methyl-5-oxo-1-pyrazolyl]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[(4Z)-4-[(5-amino-2-sulfophenyl)hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[(4Z)-4-[(5-amino-2-sulfo-phenyl)hydrazono]-5-keto-3-methyl-2-pyrazolin-1-yl]naphthalene-1,5-disulfonic acid Formula: C20H17N5O10S3 MolecularWeight: 583.57148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=C(C=CC(=C2)N)S(=O)(=O)O)C3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=C(C=CC(=C2)N)S(=O)(=O)O)C3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H17N5O10S3/c1-10-19(23-22-15-7-11(21)5-6-17(15)37(30,31)32)20(26)25(24-10)12-8-14-13(18(9-12)38(33,34)35)3-2-4-16(14)36(27,28)29/h2-9,22H,21H2,1H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)/b23-19-