sodium 4-[5-carboxy-3-oxidanylidene-4-[(2E)-2-(8-oxidanylidene-6-sulfo-naphthalen-2-ylidene)hydrazinyl]-1H-pyrazol-2-yl]benzenesulfonate

Systemtic Name: sodium 4-[5-carboxy-3-oxidanylidene-4-[(2E)-2-(8-oxidanylidene-6-sulfo-naphthalen-2-ylidene)hydrazinyl]-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: sodium 4-[5-carboxy-3-oxo-4-[(2E)-2-(8-oxo-6-sulfo-2-naphthylidene)hydrazino]-1H-pyrazol-2-yl]benzenesulfonate CAS Name: sodium 4-[5-carboxy-3-oxo-4-[(2E)-2-(8-oxo-6-sulfo-2-naphthalenylidene)hydrazinyl]-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: sodium 4-[5-carboxy-3-oxo-4-[(2E)-2-(8-oxo-6-sulfonaphthalen-2-ylidene)hydrazinyl]-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: sodium 4-[3-carboxy-5-keto-4-[(N'E)-N'-(8-keto-6-sulfo-2-naphthylidene)hydrazino]-3-pyrazolin-1-yl]besylate Formula: C20H13N4NaO10S2 MolecularWeight: 556.45779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)O)NN=C3C=CC4=CC(=CC(=O)C4=C3)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)O)N/N=C/3\C=CC4=CC(=CC(=O)C4=C3)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H14N4O10S2.Na/c25-16-9-14(36(32,33)34)7-10-1-2-11(8-15(10)16)21-22-17-18(20(27)28)23-24(19(17)26)12-3-5-13(6-4-12)35(29,30)31;/h1-9,22-23H,(H,27,28)(H,29,30,31)(H,32,33,34);/q;+1/p-1/b21-11+;