azanium; 4-oxidanylnaphthalene-1-sulfonate; 1-phenyl-2-(2,3,4-tributylphenyl)ethane-1,2-dione

Systemtic Name: azanium; 4-oxidanylnaphthalene-1-sulfonate; 1-phenyl-2-(2,3,4-tributylphenyl)ethane-1,2-dione Openeye Name: ammonium; 4-hydroxynaphthalene-1-sulfonate; 1-phenyl-2-(2,3,4-tributylphenyl)ethane-1,2-dione CAS Name: ammonium; 4-hydroxy-1-naphthalenesulfonate; 1-phenyl-2-(2,3,4-tributylphenyl)ethane-1,2-dione IUPAC Name: azanium; 4-hydroxynaphthalene-1-sulfonate; 1-phenyl-2-(2,3,4-tributylphenyl)ethane-1,2-dione Traditional Name: ammonium; 4-hydroxynaphthalene-1-sulfonate; 1-phenyl-2-(2,3,4-tributylphenyl)ethane-1,2-dione Formula: C36H45NO6S MolecularWeight: 619.8106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)CCCC)CCCC.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O.[NH4+]

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)CCCC)CCCC.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O.[NH4+]

InChI

InChI=1S/C26H34O2.C10H8O4S.H3N/c1-4-7-13-20-18-19-24(23(17-9-6-3)22(20)16-8-5-2)26(28)25(27)21-14-11-10-12-15-21;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h10-12,14-15,18-19H,4-9,13,16-17H2,1-3H3;1-6,11H,(H,12,13,14);1H3