2-[(2Z)-2-[1-(3-aminophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[(2Z)-2-[1-(3-aminophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzene-1,4-disulfonic acid Openeye Name: 2-[(2Z)-2-[1-(3-aminophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]hydrazino]benzene-1,4-disulfonic acid CAS Name: 2-[(2Z)-2-[1-(3-aminophenyl)-3-methyl-5-oxo-4-pyrazolylidene]hydrazinyl]benzene-1,4-disulfonic acid IUPAC Name: 2-[(2Z)-2-[1-(3-aminophenyl)-3-methyl-5-oxopyrazol-4-ylidene]hydrazinyl]benzene-1,4-disulfonic acid Traditional Name: 2-[(N'Z)-N'-[1-(3-aminophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]hydrazino]benzene-1,4-disulfonic acid Formula: C16H15N5O7S2 MolecularWeight: 453.4496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O7S2/c1-9-15(16(22)21(20-9)11-4-2-3-10(17)7-11)19-18-13-8-12(29(23,24)25)5-6-14(13)30(26,27)28/h2-8,18H,17H2,1H3,(H,23,24,25)(H,26,27,28)/b19-15-