2-benzofuran-1,3-dione; 2,2-bis(prop-2-enoxymethyl)butan-1-ol; 2-methyloxirane

Systemtic Name: 2-benzofuran-1,3-dione; 2,2-bis(prop-2-enoxymethyl)butan-1-ol; 2-methyloxirane Openeye Name: 2,2-bis(allyloxymethyl)butan-1-ol; isobenzofuran-1,3-dione; 2-methyloxirane CAS Name: 2,2-bis(prop-2-enoxymethyl)-1-butanol; isobenzofuran-1,3-dione; 2-methyloxirane IUPAC Name: 2-benzofuran-1,3-dione; 2,2-bis(prop-2-enoxymethyl)butan-1-ol; 2-methyloxirane Traditional Name: 2,2-bis(allyloxymethyl)butan-1-ol; phthalic anhydride; propylene oxide Formula: C23H32O7 MolecularWeight: 420.49598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(COCC=C)COCC=C.CC1CO1.C1=CC=C2C(=C1)C(=O)OC2=O

Isomeric SMILES

CCC(CO)(COCC=C)COCC=C.CC1CO1.C1=CC=C2C(=C1)C(=O)OC2=O

InChI

InChI=1S/C12H22O3.C8H4O3.C3H6O/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;9-7-5-3-1-2-4-6(5)8(10)11-7;1-3-2-4-3/h4-5,13H,1-2,6-11H2,3H3;1-4H;3H,2H2,1H3