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

Systemtic Name: 4-[(2-methyloxan-4-yl)methyl]benzenesulfonic acid Openeye Name: 4-[(2-methyltetrahydropyran-4-yl)methyl]benzenesulfonic acid CAS Name: 4-[(2-methyl-4-oxanyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(2-methyloxan-4-yl)methyl]benzenesulfonic acid Traditional Name: 4-[(2-methyltetrahydropyran-4-yl)methyl]besylic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCO1)CC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1CC(CCO1)CC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H18O4S/c1-10-8-12(6-7-17-10)9-11-2-4-13(5-3-11)18(14,15)16/h2-5,10,12H,6-9H2,1H3,(H,14,15,16)