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2-benzofuran-1,3-dione; (E)-but-2-enedioic acid; dodecane-1,12-diol

2-benzofuran-1,3-dione; (E)-but-2-enedioic acid; dodecane-1,12-diol

Systemtic Name:2-benzofuran-1,3-dione; (E)-but-2-enedioic acid; dodecane-1,12-diol
Openeye Name:dodecane-1,12-diol; fumaric acid; isobenzofuran-1,3-dione
CAS Name:(E)-2-butenedioic acid; dodecane-1,12-diol; isobenzofuran-1,3-dione
IUPAC Name:2-benzofuran-1,3-dione; (E)-but-2-enedioic acid; dodecane-1,12-diol
Traditional Name:dodecane-1,12-diol; fumaric acid; phthalic anhydride
Formula: C24H34O9
MolecularWeight: 466.52136
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCCCCO)CCCCCO.C(=CC(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCCCCO)CCCCCO.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C12H26O2.C8H4O3.C4H4O4/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;9-7-5-3-1-2-4-6(5)8(10)11-7;5-3(6)1-2-4(7)8/h13-14H,1-12H2;1-4H;1-2H,(H,5,6)(H,7,8)/b;;2-1+


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