2-benzofuran-1,3-dione; (E)-but-2-enedioic acid; 3-(3-oxidanylpropoxy)propan-1-ol

Systemtic Name: 2-benzofuran-1,3-dione; (E)-but-2-enedioic acid; 3-(3-oxidanylpropoxy)propan-1-ol Openeye Name: fumaric acid; 3-(3-hydroxypropoxy)propan-1-ol; isobenzofuran-1,3-dione CAS Name: (E)-2-butenedioic acid; 3-(3-hydroxypropoxy)-1-propanol; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; (E)-but-2-enedioic acid; 3-(3-hydroxypropoxy)propan-1-ol Traditional Name: fumaric acid; 3-(3-hydroxypropoxy)propan-1-ol; phthalic anhydride Formula: C18H22O10 MolecularWeight: 398.36128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2=O.C(CO)COCCCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2=O.C(CO)COCCCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H4O3.C6H14O3.C4H4O4/c9-7-5-3-1-2-4-6(5)8(10)11-7;7-3-1-5-9-6-2-4-8;5-3(6)1-2-4(7)8/h1-4H;7-8H,1-6H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+