disodium 3-[(2Z)-2-[5-azanylidene-3-tert-butyl-1-(2-sulfonatoethyl)pyrazol-4-ylidene]hydrazinyl]-1,2-benzoxazole-6-sulfonate

Systemtic Name: disodium 3-[(2Z)-2-[5-azanylidene-3-tert-butyl-1-(2-sulfonatoethyl)pyrazol-4-ylidene]hydrazinyl]-1,2-benzoxazole-6-sulfonate Openeye Name: disodium 3-[(2Z)-2-[3-tert-butyl-5-imino-1-(2-sulfonatoethyl)pyrazol-4-ylidene]hydrazino]-1,2-benzoxazole-6-sulfonate CAS Name: disodium 3-[(2Z)-2-[3-tert-butyl-5-imino-1-(2-sulfonatoethyl)-4-pyrazolylidene]hydrazinyl]-1,2-benzoxazole-6-sulfonate IUPAC Name: disodium 3-[(2Z)-2-[3-tert-butyl-5-imino-1-(2-sulfonatoethyl)pyrazol-4-ylidene]hydrazinyl]-1,2-benzoxazole-6-sulfonate Traditional Name: disodium 3-[(N'Z)-N'-[3-tert-butyl-5-imino-1-(2-sulfonatoethyl)-2-pyrazolin-4-ylidene]hydrazino]indoxazene-6-sulfonate Formula: C16H18N6Na2O7S2 MolecularWeight: 516.45966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N)C1=NNC2=NOC3=C2C=CC(=C3)S(=O)(=O)[O-])CCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C\1=NN(C(=N)/C1=N\NC2=NOC3=C2C=CC(=C3)S(=O)(=O)[O-])CCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H20N6O7S2.2Na/c1-16(2,3)13-12(14(17)22(20-13)6-7-30(23,24)25)18-19-15-10-5-4-9(31(26,27)28)8-11(10)29-21-15;;/h4-5,8,17H,6-7H2,1-3H3,(H,19,21)(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b17-14?,18-12-;;