octanedioic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: octanedioic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: octanedioic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: octanedioic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: octanedioic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; suberic acid Formula: C14H18O5 MolecularWeight: 266.28972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC=C1O2.C(CCCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC2=CC=C1O2.C(CCCC(=O)O)CCC(=O)O

InChI

InChI=1S/C8H14O4.C6H4O/c9-7(10)5-3-1-2-4-6-8(11)12;1-2-6-4-3-5(1)7-6/h1-6H2,(H,9,10)(H,11,12);1-4H