heptanedioic acid; 2-methylbenzene-1,3-diol

Systemtic Name: heptanedioic acid; 2-methylbenzene-1,3-diol Openeye Name: heptanedioic acid; 2-methylbenzene-1,3-diol CAS Name: heptanedioic acid; 2-methylbenzene-1,3-diol IUPAC Name: heptanedioic acid; 2-methylbenzene-1,3-diol Traditional Name: 2-methylresorcinol; pimelic acid Formula: C14H20O6 MolecularWeight: 284.305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)O.C(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC=C1O)O.C(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C7H12O4.C7H8O2/c8-6(9)4-2-1-3-5-7(10)11;1-5-6(8)3-2-4-7(5)9/h1-5H2,(H,8,9)(H,10,11);2-4,8-9H,1H3