sodium 12-(4-tert-butylphenyl)-2,2-bis(chloranyl)dodecanoate

Systemtic Name: sodium 12-(4-tert-butylphenyl)-2,2-bis(chloranyl)dodecanoate Openeye Name: sodium 12-(4-tert-butylphenyl)-2,2-dichloro-dodecanoate CAS Name: sodium 12-(4-tert-butylphenyl)-2,2-dichlorododecanoate IUPAC Name: sodium 12-(4-tert-butylphenyl)-2,2-dichlorododecanoate Traditional Name: sodium 12-(4-tert-butylphenyl)-2,2-dichloro-laurate Formula: C22H33Cl2NaO2 MolecularWeight: 423.39199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCCCCCCCCCC(C(=O)[O-])(Cl)Cl.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCCCCCCCCCC(C(=O)[O-])(Cl)Cl.[Na+]

InChI

InChI=1S/C22H34Cl2O2.Na/c1-21(2,3)19-15-13-18(14-16-19)12-10-8-6-4-5-7-9-11-17-22(23,24)20(25)26;/h13-16H,4-12,17H2,1-3H3,(H,25,26);/q;+1/p-1