sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate

Systemtic Name: sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate Openeye Name: sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate CAS Name: sodium 3,5-bis[oxo(tetradecoxy)methyl]benzenesulfinate IUPAC Name: sodium 3,5-bis(tetradecoxycarbonyl)benzenesulfinate Traditional Name: sodium 3,5-bis(myristyloxycarbonyl)benzenesulfinate Formula: C36H61NaO6S MolecularWeight: 644.92071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)[O-])C(=O)OCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)[O-])C(=O)OCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C36H62O6S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-35(37)32-29-33(31-34(30-32)43(39)40)36(38)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h29-31H,3-28H2,1-2H3,(H,39,40);/q;+1/p-1