zinc 3,4-di(nonyl)-2-sulfonato-naphthalene-1-carboxylate

Systemtic Name: zinc 3,4-di(nonyl)-2-sulfonato-naphthalene-1-carboxylate Openeye Name: zinc 3,4-di(nonyl)-2-sulfonato-naphthalene-1-carboxylate CAS Name: zinc 3,4-di(nonyl)-2-sulfonato-1-naphthalenecarboxylate IUPAC Name: zinc 3,4-di(nonyl)-2-sulfonatonaphthalene-1-carboxylate Traditional Name: zinc 3,4-di(nonyl)-2-sulfonato-1-naphthoate Formula: C29H42O5SZn MolecularWeight: 568.11478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)[O-])S(=O)(=O)[O-])CCCCCCCCC.[Zn+2]

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)[O-])S(=O)(=O)[O-])CCCCCCCCC.[Zn+2]

InChI

InChI=1S/C29H44O5S.Zn/c1-3-5-7-9-11-13-15-19-24-23-20-17-18-21-25(23)27(29(30)31)28(35(32,33)34)26(24)22-16-14-12-10-8-6-4-2;/h17-18,20-21H,3-16,19,22H2,1-2H3,(H,30,31)(H,32,33,34);/q;+2/p-2