copper; 4-dodecylbenzenesulfonate; ethane-1,2-diamine

Systemtic Name: copper; 4-dodecylbenzenesulfonate; ethane-1,2-diamine Openeye Name: copper; 4-dodecylbenzenesulfonate; ethane-1,2-diamine CAS Name: copper; 4-dodecylbenzenesulfonate; ethane-1,2-diamine IUPAC Name: copper; 4-dodecylbenzenesulfonate; ethane-1,2-diamine Traditional Name: cupric; 2-aminoethylamine; 4-laurylbesylate Formula: C40H74CuN4O6S2 MolecularWeight: 834.71476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C(CN)N.C(CN)N.[Cu+2]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C(CN)N.C(CN)N.[Cu+2]

InChI

InChI=1S/2C18H30O3S.2C2H8N2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;2*3-1-2-4;/h2*13-16H,2-12H2,1H3,(H,19,20,21);2*1-4H2;/q;;;;+2/p-2