3-decan-4-yl-2-fluoranyl-benzenesulfonic acid

Systemtic Name: 3-decan-4-yl-2-fluoranyl-benzenesulfonic acid Openeye Name: 2-fluoro-3-(1-propylheptyl)benzenesulfonic acid CAS Name: 3-decan-4-yl-2-fluorobenzenesulfonic acid IUPAC Name: 3-decan-4-yl-2-fluorobenzenesulfonic acid Traditional Name: 2-fluoro-3-(1-propylheptyl)besylic acid Formula: C16H25FO3S MolecularWeight: 316.431303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)C1=C(C(=CC=C1)S(=O)(=O)O)F

Isomeric SMILES

CCCCCCC(CCC)C1=C(C(=CC=C1)S(=O)(=O)O)F

InChI

InChI=1S/C16H25FO3S/c1-3-5-6-7-10-13(9-4-2)14-11-8-12-15(16(14)17)21(18,19)20/h8,11-13H,3-7,9-10H2,1-2H3,(H,18,19,20)