3,3-dimethyl-7-prop-1-en-2-yl-2H-1,4-benzoxathiine

Systemtic Name: 3,3-dimethyl-7-prop-1-en-2-yl-2H-1,4-benzoxathiine Openeye Name: 7-isopropenyl-3,3-dimethyl-2H-1,4-benzoxathiine CAS Name: 3,3-dimethyl-7-(1-methylethenyl)-2H-1,4-benzoxathiin IUPAC Name: 3,3-dimethyl-7-prop-1-en-2-yl-2H-1,4-benzoxathiine Traditional Name: 7-isopropenyl-3,3-dimethyl-2H-1,4-benzoxathiin Formula: C13H16OS MolecularWeight: 220.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC2=C(C=C1)SC(CO2)(C)C

Isomeric SMILES

CC(=C)C1=CC2=C(C=C1)SC(CO2)(C)C

InChI

InChI=1S/C13H16OS/c1-9(2)10-5-6-12-11(7-10)14-8-13(3,4)15-12/h5-7H,1,8H2,2-4H3