sodium 2-[(2E)-2-(2-azanyl-5-oxidanylidene-7-sulfo-naphthalen-1-ylidene)hydrazinyl]-5-nitro-benzoate

Systemtic Name: sodium 2-[(2E)-2-(2-azanyl-5-oxidanylidene-7-sulfo-naphthalen-1-ylidene)hydrazinyl]-5-nitro-benzoate Openeye Name: sodium 2-[(2E)-2-(2-amino-5-oxo-7-sulfo-1-naphthylidene)hydrazino]-5-nitro-benzoate CAS Name: sodium 2-[(2E)-2-(2-amino-5-oxo-7-sulfo-1-naphthalenylidene)hydrazinyl]-5-nitrobenzoate IUPAC Name: sodium 2-[(2E)-2-(2-amino-5-oxo-7-sulfonaphthalen-1-ylidene)hydrazinyl]-5-nitrobenzoate Traditional Name: sodium 2-[(N'E)-N'-(2-amino-5-keto-7-sulfo-1-naphthylidene)hydrazino]-5-nitro-benzoate Formula: C17H11N4NaO8S MolecularWeight: 454.34601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])NN=C2C(=CC=C3C2=CC(=CC3=O)S(=O)(=O)O)N.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)[O-])N/N=C\2/C(=CC=C3C2=CC(=CC3=O)S(=O)(=O)O)N.[Na+]

InChI

InChI=1S/C17H12N4O8S.Na/c18-13-3-2-10-11(6-9(7-15(10)22)30(27,28)29)16(13)20-19-14-4-1-8(21(25)26)5-12(14)17(23)24;/h1-7,19H,18H2,(H,23,24)(H,27,28,29);/q;+1/p-1/b20-16+;