4-azanyl-2-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(2-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-azanyl-2-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(2-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-amino-2-[(2Z)-2-[3-methyl-5-oxo-1-(2-sulfophenyl)pyrazol-4-ylidene]hydrazino]benzenesulfonic acid CAS Name: 4-amino-2-[(2Z)-2-[3-methyl-5-oxo-1-(2-sulfophenyl)-4-pyrazolylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-amino-2-[(2Z)-2-[3-methyl-5-oxo-1-(2-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-amino-2-[(N'Z)-N'-[5-keto-3-methyl-1-(2-sulfophenyl)-2-pyrazolin-4-ylidene]hydrazino]besylic 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)N)S(=O)(=O)O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=C(C=CC(=C2)N)S(=O)(=O)O)C3=CC=CC=C3S(=O)(=O)O

InChI

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