3-[4-(4-decoxyphenyl)phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[4-(4-decoxyphenyl)phenoxy]propane-1-sulfonic acid Openeye Name: 3-[4-(4-decoxyphenyl)phenoxy]propane-1-sulfonic acid CAS Name: 3-[4-(4-decoxyphenyl)phenoxy]-1-propanesulfonic acid IUPAC Name: 3-[4-(4-decoxyphenyl)phenoxy]propane-1-sulfonic acid Traditional Name: 3-[4-(4-decoxyphenyl)phenoxy]propane-1-sulfonic acid Formula: C25H36O5S MolecularWeight: 448.61534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCS(=O)(=O)O

InChI

InChI=1S/C25H36O5S/c1-2-3-4-5-6-7-8-9-19-29-24-15-11-22(12-16-24)23-13-17-25(18-14-23)30-20-10-21-31(26,27)28/h11-18H,2-10,19-21H2,1H3,(H,26,27,28)