sodium 2-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylcarbamoyl]benzenesulfinate

Systemtic Name: sodium 2-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylcarbamoyl]benzenesulfinate Openeye Name: sodium 2-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propylcarbamoyl]benzenesulfinate CAS Name: sodium 2-[[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylamino]-oxomethyl]benzenesulfinate IUPAC Name: sodium 2-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylcarbamoyl]benzenesulfinate Traditional Name: sodium 2-[3-(2,4-ditert-amylphenoxy)propylcarbamoyl]benzenesulfinate Formula: C26H36NNaO4S MolecularWeight: 481.62311

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=CC=CC=C2S(=O)[O-])C(C)(C)CC.[Na+]

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=CC=CC=C2S(=O)[O-])C(C)(C)CC.[Na+]

InChI

InChI=1S/C26H37NO4S.Na/c1-7-25(3,4)19-14-15-22(21(18-19)26(5,6)8-2)31-17-11-16-27-24(28)20-12-9-10-13-23(20)32(29)30;/h9-10,12-15,18H,7-8,11,16-17H2,1-6H3,(H,27,28)(H,29,30);/q;+1/p-1