tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylsulfonyl-propanoate

Systemtic Name: tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylsulfonyl-propanoate Openeye Name: tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylsulfonyl-propanoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylsulfonylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-ethylsulfonylpropanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-esyl-propionic acid tert-butyl ester Formula: C18H26O6S MolecularWeight: 370.46044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC(CC1=C2C(=CC=C1)OCCO2)C(=O)OC(C)(C)C

Isomeric SMILES

CCS(=O)(=O)CC(CC1=C2C(=CC=C1)OCCO2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H26O6S/c1-5-25(20,21)12-14(17(19)24-18(2,3)4)11-13-7-6-8-15-16(13)23-10-9-22-15/h6-8,14H,5,9-12H2,1-4H3