(5-methyl-2-propan-2-yl-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H20O5S/c1-12(2)15-6-4-13(3)10-17(15)23-24(19,20)14-5-7-16-18(11-14)22-9-8-21-16/h4-7,10-12H,8-9H2,1-3H3