sodium 2-[2-(2-azanylidene-6-ethoxysulfonyl-8-oxidanylidene-naphthalen-1-yl)hydrazinyl]-4-ethoxycarbonyl-benzoate

Systemtic Name: sodium 2-[2-(2-azanylidene-6-ethoxysulfonyl-8-oxidanylidene-naphthalen-1-yl)hydrazinyl]-4-ethoxycarbonyl-benzoate Openeye Name: sodium 4-ethoxycarbonyl-2-[2-(6-ethoxysulfonyl-2-imino-8-oxo-1-naphthyl)hydrazino]benzoate CAS Name: sodium 4-ethoxycarbonyl-2-[(6-ethoxysulfonyl-2-imino-8-oxo-1-naphthalenyl)hydrazo]benzoate IUPAC Name: sodium 4-ethoxycarbonyl-2-[2-(6-ethoxysulfonyl-2-imino-8-oxonaphthalen-1-yl)hydrazinyl]benzoate Traditional Name: sodium 4-carbethoxy-2-[N'-(6-ethoxysulfonyl-2-imino-8-keto-1-naphthyl)hydrazino]benzoate Formula: C22H20N3NaO8S MolecularWeight: 509.46427

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)[O-])NNC2=C3C(=CC(=CC3=O)S(=O)(=O)OCC)C=CC2=N.[Na+]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)[O-])NNC2=C3C(=CC(=CC3=O)S(=O)(=O)OCC)C=CC2=N.[Na+]

InChI

InChI=1S/C22H21N3O8S.Na/c1-3-32-22(29)13-5-7-15(21(27)28)17(10-13)24-25-20-16(23)8-6-12-9-14(11-18(26)19(12)20)34(30,31)33-4-2;/h5-11,23-25H,3-4H2,1-2H3,(H,27,28);/q;+1/p-1