3-(methoxymethyl)-4-methyl-benzenesulfonic acid

Systemtic Name: 3-(methoxymethyl)-4-methyl-benzenesulfonic acid Openeye Name: 3-(methoxymethyl)-4-methyl-benzenesulfonic acid CAS Name: 3-(methoxymethyl)-4-methylbenzenesulfonic acid IUPAC Name: 3-(methoxymethyl)-4-methylbenzenesulfonic acid Traditional Name: 3-(methoxymethyl)-4-methyl-besylic acid Formula: C9H12O4S MolecularWeight: 216.25418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)COC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)COC

InChI

InChI=1S/C9H12O4S/c1-7-3-4-9(14(10,11)12)5-8(7)6-13-2/h3-5H,6H2,1-2H3,(H,10,11,12)