2-(2-sulfonaphthalen-1-yl)octadecanoic acid

Systemtic Name: 2-(2-sulfonaphthalen-1-yl)octadecanoic acid Openeye Name: 2-(2-sulfo-1-naphthyl)octadecanoic acid CAS Name: 2-(2-sulfo-1-naphthalenyl)octadecanoic acid IUPAC Name: 2-(2-sulfonaphthalen-1-yl)octadecanoic acid Traditional Name: 2-(2-sulfo-1-naphthyl)stearic acid Formula: C28H42O5S MolecularWeight: 490.69508

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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

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=C(C=CC2=CC=CC=C21)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C28H42O5S/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)