sodium 4-(2-ethylhexoxycarbonyl)phenolate

Systemtic Name: sodium 4-(2-ethylhexoxycarbonyl)phenolate Openeye Name: sodium 4-(2-ethylhexoxycarbonyl)phenolate CAS Name: sodium 4-[2-ethylhexoxy(oxo)methyl]phenolate IUPAC Name: sodium 4-(2-ethylhexoxycarbonyl)phenolate Traditional Name: sodium 4-(2-ethylhexoxycarbonyl)phenolate Formula: C15H21NaO3 MolecularWeight: 272.31521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC=C(C=C1)[O-].[Na+]

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC=C(C=C1)[O-].[Na+]

InChI

InChI=1S/C15H22O3.Na/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13;/h7-10,12,16H,3-6,11H2,1-2H3;/q;+1/p-1