2-(2-phenyloctyl)benzenesulfonate

Systemtic Name: 2-(2-phenyloctyl)benzenesulfonate Openeye Name: 2-(2-phenyloctyl)benzenesulfonate CAS Name: 2-(2-phenyloctyl)benzenesulfonate IUPAC Name: 2-(2-phenyloctyl)benzenesulfonate Traditional Name: 2-(2-phenyloctyl)besylate Formula: C20H25O3S- MolecularWeight: 345.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=CC=CC=C1S(=O)(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(CC1=CC=CC=C1S(=O)(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C20H26O3S/c1-2-3-4-6-13-18(17-11-7-5-8-12-17)16-19-14-9-10-15-20(19)24(21,22)23/h5,7-12,14-15,18H,2-4,6,13,16H2,1H3,(H,21,22,23)/p-1