3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; butane-1,3-diol; 3-(3-oxidanylpropoxy)propan-1-ol

Systemtic Name: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; butane-1,3-diol; 3-(3-oxidanylpropoxy)propan-1-ol Openeye Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; butane-1,3-diol; 3-(3-hydroxypropoxy)propan-1-ol CAS Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; butane-1,3-diol; 3-(3-hydroxypropoxy)-1-propanol IUPAC Name: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; butane-1,3-diol; 3-(3-hydroxypropoxy)propan-1-ol Traditional Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone; butane-1,3-diol; 3-(3-hydroxypropoxy)propan-1-ol Formula: C18H32O8 MolecularWeight: 376.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)O.C1C=CCC2C1C(=O)OC2=O.C(CO)COCCCO

Isomeric SMILES

CC(CCO)O.C1C=CCC2C1C(=O)OC2=O.C(CO)COCCCO

InChI

InChI=1S/C8H8O3.C6H14O3.C4H10O2/c9-7-5-3-1-2-4-6(5)8(10)11-7;7-3-1-5-9-6-2-4-8;1-4(6)2-3-5/h1-2,5-6H,3-4H2;7-8H,1-6H2;4-6H,2-3H2,1H3