4-heptylbenzenesulfonate

Systemtic Name: 4-heptylbenzenesulfonate Openeye Name: 4-heptylbenzenesulfonate CAS Name: 4-heptylbenzenesulfonate IUPAC Name: 4-heptylbenzenesulfonate Traditional Name: 4-heptylbesylate Formula: C13H19O3S- MolecularWeight: 255.35316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H20O3S/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)17(14,15)16/h8-11H,2-7H2,1H3,(H,14,15,16)/p-1