sodium; ethane; 2-ethoxy-2-[4-(2-methylheptan-2-yl)phenoxy]ethanolate

Systemtic Name: sodium; ethane; 2-ethoxy-2-[4-(2-methylheptan-2-yl)phenoxy]ethanolate Openeye Name: sodium; 2-[4-(1,1-dimethylhexyl)phenoxy]-2-ethoxy-ethanolate; ethane CAS Name: sodium; ethane; 2-ethoxy-2-[4-(2-methylheptan-2-yl)phenoxy]ethanolate IUPAC Name: sodium; ethane; 2-ethoxy-2-[4-(2-methylheptan-2-yl)phenoxy]ethanolate Traditional Name: sodium; 2-[4-(1,1-dimethylhexyl)phenoxy]-2-ethoxy-ethanolate; ethane Formula: C20H35NaO3 MolecularWeight: 346.47987

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCCCCC(C)(C)C1=CC=C(C=C1)OC(C[O-])OCC.[Na+]

Isomeric SMILES

CC.CCCCCC(C)(C)C1=CC=C(C=C1)OC(C[O-])OCC.[Na+]

InChI

InChI=1S/C18H29O3.C2H6.Na/c1-5-7-8-13-18(3,4)15-9-11-16(12-10-15)21-17(14-19)20-6-2;1-2;/h9-12,17H,5-8,13-14H2,1-4H3;1-2H3;/q-1;;+1