2-(4-tert-butylphenyl)-3-oxidanylidene-4-[(2E)-2-(2-oxidanylidene-4-sulfo-naphthalen-1-ylidene)hydrazinyl]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-3-oxidanylidene-4-[(2E)-2-(2-oxidanylidene-4-sulfo-naphthalen-1-ylidene)hydrazinyl]-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-3-oxo-4-[(2E)-2-(2-oxo-4-sulfo-1-naphthylidene)hydrazino]-1H-pyrazole-5-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-3-oxo-4-[(2E)-2-(2-oxo-4-sulfo-1-naphthalenylidene)hydrazinyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-3-oxo-4-[(2E)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-keto-4-[(N'E)-N'-(2-keto-4-sulfo-1-naphthylidene)hydrazino]-3-pyrazoline-3-carboxylic acid Formula: C24H22N4O7S MolecularWeight: 510.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(=O)O)NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(=O)O)N/N=C/3\C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

InChI

InChI=1S/C24H22N4O7S/c1-24(2,3)13-8-10-14(11-9-13)28-22(30)20(21(27-28)23(31)32)26-25-19-16-7-5-4-6-15(16)18(12-17(19)29)36(33,34)35/h4-12,26-27H,1-3H3,(H,31,32)(H,33,34,35)/b25-19+