sodium 2-sulfooctadecanoate

Systemtic Name: sodium 2-sulfooctadecanoate Openeye Name: sodium 2-sulfooctadecanoate CAS Name: sodium 2-sulfooctadecanoate IUPAC Name: sodium 2-sulfooctadecanoate Traditional Name: sodium 2-sulfostearate Formula: C18H35NaO5S MolecularWeight: 386.52227

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H36O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20)24(21,22)23;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1