sodium 3-(4-ethylphenyl)-4-[(4-nitrophenyl)carbonylamino]naphthalene-1-sulfonate

Systemtic Name: sodium 3-(4-ethylphenyl)-4-[(4-nitrophenyl)carbonylamino]naphthalene-1-sulfonate Openeye Name: sodium 3-(4-ethylphenyl)-4-[(4-nitrobenzoyl)amino]naphthalene-1-sulfonate CAS Name: sodium 3-(4-ethylphenyl)-4-[[(4-nitrophenyl)-oxomethyl]amino]-1-naphthalenesulfonate IUPAC Name: sodium 3-(4-ethylphenyl)-4-[(4-nitrobenzoyl)amino]naphthalene-1-sulfonate Traditional Name: sodium 3-(4-ethylphenyl)-4-[(4-nitrobenzoyl)amino]naphthalene-1-sulfonate Formula: C25H19N2NaO6S MolecularWeight: 498.48293

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])NC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])NC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C25H20N2O6S.Na/c1-2-16-7-9-17(10-8-16)22-15-23(34(31,32)33)20-5-3-4-6-21(20)24(22)26-25(28)18-11-13-19(14-12-18)27(29)30;/h3-15H,2H2,1H3,(H,26,28)(H,31,32,33);/q;+1/p-1