2-benzofuran-1,3-dione; 2,2-bis(prop-2-enoxymethyl)butan-1-ol; furan-2,5-dione; propane-1,2-diol

Systemtic Name: 2-benzofuran-1,3-dione; 2,2-bis(prop-2-enoxymethyl)butan-1-ol; furan-2,5-dione; propane-1,2-diol Openeye Name: 2,2-bis(allyloxymethyl)butan-1-ol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol CAS Name: 2,2-bis(prop-2-enoxymethyl)-1-butanol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol IUPAC Name: 2-benzofuran-1,3-dione; 2,2-bis(prop-2-enoxymethyl)butan-1-ol; furan-2,5-dione; propane-1,2-diol Traditional Name: 2,2-bis(allyloxymethyl)butan-1-ol; furan-2,5-quinone; phthalic anhydride; propane-1,2-diol Formula: C27H36O11 MolecularWeight: 536.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(COCC=C)COCC=C.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O

Isomeric SMILES

CCC(CO)(COCC=C)COCC=C.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O

InChI

InChI=1S/C12H22O3.C8H4O3.C4H2O3.C3H8O2/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;5-3-1-2-4(6)7-3;1-3(5)2-4/h4-5,13H,1-2,6-11H2,3H3;1-4H;1-2H;3-5H,2H2,1H3