sodium 2-(2-sulfonaphthalen-1-yl)octadecanoate

Systemtic Name: sodium 2-(2-sulfonaphthalen-1-yl)octadecanoate Openeye Name: sodium 2-(2-sulfo-1-naphthyl)octadecanoate CAS Name: sodium 2-(2-sulfo-1-naphthalenyl)octadecanoate IUPAC Name: sodium 2-(2-sulfonaphthalen-1-yl)octadecanoate Traditional Name: sodium 2-(2-sulfo-1-naphthyl)stearate Formula: C28H41NaO5S MolecularWeight: 512.67691

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=C(C=CC2=CC=CC=C21)S(=O)(=O)O)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=C(C=CC2=CC=CC=C21)S(=O)(=O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C28H42O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(28(29)30)27-24-19-17-16-18-23(24)21-22-26(27)34(31,32)33;/h16-19,21-22,25H,2-15,20H2,1H3,(H,29,30)(H,31,32,33);/q;+1/p-1