4-[(2-phenyloxan-4-yl)methyl]benzenesulfonic acid

Systemtic Name: 4-[(2-phenyloxan-4-yl)methyl]benzenesulfonic acid Openeye Name: 4-[(2-phenyltetrahydropyran-4-yl)methyl]benzenesulfonic acid CAS Name: 4-[(2-phenyl-4-oxanyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(2-phenyloxan-4-yl)methyl]benzenesulfonic acid Traditional Name: 4-[(2-phenyltetrahydropyran-4-yl)methyl]besylic acid Formula: C18H20O4S MolecularWeight: 332.414

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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)