2-(6-dodecoxypyridin-3-yl)sulfonylbutanoic acid

Systemtic Name: 2-(6-dodecoxypyridin-3-yl)sulfonylbutanoic acid Openeye Name: 2-[(6-dodecoxy-3-pyridyl)sulfonyl]butanoic acid CAS Name: 2-[(6-dodecoxy-3-pyridinyl)sulfonyl]butanoic acid IUPAC Name: 2-(6-dodecoxypyridin-3-yl)sulfonylbutanoic acid Traditional Name: 2-[(6-lauryloxy-3-pyridyl)sulfonyl]butyric acid Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=NC=C(C=C1)S(=O)(=O)C(CC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=NC=C(C=C1)S(=O)(=O)C(CC)C(=O)O

InChI

InChI=1S/C21H35NO5S/c1-3-5-6-7-8-9-10-11-12-13-16-27-20-15-14-18(17-22-20)28(25,26)19(4-2)21(23)24/h14-15,17,19H,3-13,16H2,1-2H3,(H,23,24)