benzene-1,3-diol; heptanedioic acid

Systemtic Name: benzene-1,3-diol; heptanedioic acid Openeye Name: benzene-1,3-diol; heptanedioic acid CAS Name: benzene-1,3-diol; heptanedioic acid IUPAC Name: benzene-1,3-diol; heptanedioic acid Traditional Name: pimelic acid; resorcinol Formula: C13H18O6 MolecularWeight: 270.27842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)O.C(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)O.C(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C7H12O4.C6H6O2/c8-6(9)4-2-1-3-5-7(10)11;7-5-2-1-3-6(8)4-5/h1-5H2,(H,8,9)(H,10,11);1-4,7-8H