sodium; hexadecane; 3-octadecylphthalate

Systemtic Name: sodium; hexadecane; 3-octadecylphthalate Openeye Name: sodium; hexadecane; 3-octadecylphthalate CAS Name: sodium; hexadecane; 3-octadecylphthalate IUPAC Name: sodium; hexadecane; 3-octadecylphthalate Traditional Name: sodium; hexadecane; 3-stearylphthalate Formula: C42H73NaO4-2 MolecularWeight: 665.01639

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC[CH2-].CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCC[CH2-].CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C26H42O4.C16H33.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(25(27)28)24(22)26(29)30;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h18,20-21H,2-17,19H2,1H3,(H,27,28)(H,29,30);1,3-16H2,2H3;/q;-1;+1/p-2