sodium 4-[(2,4-dichlorophenyl)carbonylamino]-3-(4-ethylphenyl)naphthalene-1-sulfonate

Systemtic Name: sodium 4-[(2,4-dichlorophenyl)carbonylamino]-3-(4-ethylphenyl)naphthalene-1-sulfonate Openeye Name: sodium 4-[(2,4-dichlorobenzoyl)amino]-3-(4-ethylphenyl)naphthalene-1-sulfonate CAS Name: sodium 4-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-(4-ethylphenyl)-1-naphthalenesulfonate IUPAC Name: sodium 4-[(2,4-dichlorobenzoyl)amino]-3-(4-ethylphenyl)naphthalene-1-sulfonate Traditional Name: sodium 4-[(2,4-dichlorobenzoyl)amino]-3-(4-ethylphenyl)naphthalene-1-sulfonate Formula: C25H18Cl2NNaO4S MolecularWeight: 522.37549

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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=C(C=C(C=C4)Cl)Cl.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C25H19Cl2NO4S.Na/c1-2-15-7-9-16(10-8-15)21-14-23(33(30,31)32)18-5-3-4-6-19(18)24(21)28-25(29)20-12-11-17(26)13-22(20)27;/h3-14H,2H2,1H3,(H,28,29)(H,30,31,32);/q;+1/p-1