4-[(2-phenyloxan-4-yl)methyl]benzenesulfonate

Systemtic Name: 4-[(2-phenyloxan-4-yl)methyl]benzenesulfonate Openeye Name: 4-[(2-phenyltetrahydropyran-4-yl)methyl]benzenesulfonate CAS Name: 4-[(2-phenyl-4-oxanyl)methyl]benzenesulfonate IUPAC Name: 4-[(2-phenyloxan-4-yl)methyl]benzenesulfonate Traditional Name: 4-[(2-phenyltetrahydropyran-4-yl)methyl]besylate Formula: C18H19O4S- MolecularWeight: 331.40606

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1CC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1COC(CC1CC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H20O4S/c19-23(20,21)17-8-6-14(7-9-17)12-15-10-11-22-18(13-15)16-4-2-1-3-5-16/h1-9,15,18H,10-13H2,(H,19,20,21)/p-1