sodium 3-dodecoxycarbonyl-4,4,5,5,5-pentaethoxy-3-sulfo-pentanoate

Systemtic Name: sodium 3-dodecoxycarbonyl-4,4,5,5,5-pentaethoxy-3-sulfo-pentanoate Openeye Name: sodium 3-dodecoxycarbonyl-4,4,5,5,5-pentaethoxy-3-sulfo-pentanoate CAS Name: sodium 3-[dodecoxy(oxo)methyl]-4,4,5,5,5-pentaethoxy-3-sulfopentanoate IUPAC Name: sodium 3-dodecoxycarbonyl-4,4,5,5,5-pentaethoxy-3-sulfopentanoate Traditional Name: sodium 4,4,5,5,5-pentaethoxy-3-lauryloxycarbonyl-3-sulfo-valerate Formula: C28H53NaO12S MolecularWeight: 636.76799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(CC(=O)[O-])(C(C(OCC)(OCC)OCC)(OCC)OCC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(CC(=O)[O-])(C(C(OCC)(OCC)OCC)(OCC)OCC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C28H54O12S.Na/c1-7-13-14-15-16-17-18-19-20-21-22-35-25(31)26(23-24(29)30,41(32,33)34)27(36-8-2,37-9-3)28(38-10-4,39-11-5)40-12-6;/h7-23H2,1-6H3,(H,29,30)(H,32,33,34);/q;+1/p-1