sodium; benzenesulfinate; [3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylamino]methanone

Systemtic Name: sodium; benzenesulfinate; [3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylamino]methanone Openeye Name: sodium; benzenesulfinate; [3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propylamino]methanone CAS Name: sodium; benzenesulfinate; [3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylamino]methanone IUPAC Name: sodium; benzenesulfinate; [3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propylamino]methanone Traditional Name: sodium; benzenesulfinate; [3-(2,4-ditert-amylphenoxy)propylamino]methanone Formula: C26H37NNaO4S- MolecularWeight: 482.63105

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCN[C-]=O)C(C)(C)CC.C1=CC=C(C=C1)S(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCN[C-]=O)C(C)(C)CC.C1=CC=C(C=C1)S(=O)[O-].[Na+]

InChI

InChI=1S/C20H32NO2.C6H6O2S.Na/c1-7-19(3,4)16-10-11-18(23-13-9-12-21-15-22)17(14-16)20(5,6)8-2;7-9(8)6-4-2-1-3-5-6;/h10-11,14H,7-9,12-13H2,1-6H3,(H,21,22);1-5H,(H,7,8);/q-1;;+1/p-1