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

Systemtic Name: 2-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(3-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonic acid Openeye Name: 2-[(2Z)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)pyrazol-4-ylidene]hydrazino]naphthalene-1-sulfonic acid CAS Name: 2-[(2Z)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)-4-pyrazolylidene]hydrazinyl]-1-naphthalenesulfonic acid IUPAC Name: 2-[(2Z)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonic acid Traditional Name: 2-[(N'Z)-N'-[5-keto-3-methyl-1-(3-sulfophenyl)-2-pyrazolin-4-ylidene]hydrazino]naphthalene-1-sulfonic acid Formula: C20H16N4O7S2 MolecularWeight: 488.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC(=CC=C4)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC(=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C20H16N4O7S2/c1-12-18(20(25)24(23-12)14-6-4-7-15(11-14)32(26,27)28)22-21-17-10-9-13-5-2-3-8-16(13)19(17)33(29,30)31/h2-11,21H,1H3,(H,26,27,28)(H,29,30,31)/b22-18-