4-methylbenzenesulfonic acid; 3-methyl-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 4-methylbenzenesulfonic acid; 3-methyl-2,3-dihydro-1,4-benzodioxine Openeye Name: 4-methylbenzenesulfonic acid; 3-methyl-2,3-dihydro-1,4-benzodioxine CAS Name: 4-methylbenzenesulfonic acid; 3-methyl-2,3-dihydro-1,4-benzodioxin IUPAC Name: 4-methylbenzenesulfonic acid; 3-methyl-2,3-dihydro-1,4-benzodioxine Traditional Name: 3-methyl-2,3-dihydro-1,4-benzodioxin; tosylic acid Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC2=CC=CC=C2O1.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1COC2=CC=CC=C2O1.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H10O2.C7H8O3S/c1-7-6-10-8-4-2-3-5-9(8)11-7;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,7H,6H2,1H3;2-5H,1H3,(H,8,9,10)