2,2-bis(2-methylpropyl)-1,3-benzoxathiole-5-carboxylic acid

Systemtic Name: 2,2-bis(2-methylpropyl)-1,3-benzoxathiole-5-carboxylic acid Openeye Name: 2,2-diisobutyl-1,3-benzoxathiole-5-carboxylic acid CAS Name: 2,2-bis(2-methylpropyl)-1,3-benzoxathiole-5-carboxylic acid IUPAC Name: 2,2-bis(2-methylpropyl)-1,3-benzoxathiole-5-carboxylic acid Traditional Name: 2,2-diisobutyl-1,3-benzoxathiole-5-carboxylic acid Formula: C16H22O3S MolecularWeight: 294.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(OC2=C(S1)C=C(C=C2)C(=O)O)CC(C)C

Isomeric SMILES

CC(C)CC1(OC2=C(S1)C=C(C=C2)C(=O)O)CC(C)C

InChI

InChI=1S/C16H22O3S/c1-10(2)8-16(9-11(3)4)19-13-6-5-12(15(17)18)7-14(13)20-16/h5-7,10-11H,8-9H2,1-4H3,(H,17,18)