heptanoic acid; 6-methylheptanoic acid; nonanoic acid; phthalic acid

Systemtic Name: heptanoic acid; 6-methylheptanoic acid; nonanoic acid; phthalic acid Openeye Name: heptanoic acid; 6-methylheptanoic acid; nonanoic acid; phthalic acid CAS Name: heptanoic acid; 6-methylheptanoic acid; nonanoic acid; phthalic acid IUPAC Name: heptanoic acid; 6-methylheptanoic acid; nonanoic acid; phthalic acid Traditional Name: enanthic acid; 6-methylenanthic acid; pelargonic acid; phthalic acid Formula: C32H54O10 MolecularWeight: 598.76516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)O.CCCCCCC(=O)O.CC(C)CCCCC(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(=O)O.CCCCCCC(=O)O.CC(C)CCCCC(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C9H18O2.C8H6O4.C8H16O2.C7H14O2/c1-2-3-4-5-6-7-8-9(10)11;9-7(10)5-3-1-2-4-6(5)8(11)12;1-7(2)5-3-4-6-8(9)10;1-2-3-4-5-6-7(8)9/h2-8H2,1H3,(H,10,11);1-4H,(H,9,10)(H,11,12);7H,3-6H2,1-2H3,(H,9,10);2-6H2,1H3,(H,8,9)