3-octan-2-ylphthalic acid

Systemtic Name: 3-octan-2-ylphthalic acid Openeye Name: 3-(1-methylheptyl)phthalic acid CAS Name: 3-octan-2-ylphthalic acid IUPAC Name: 3-octan-2-ylphthalic acid Traditional Name: 3-(1-methylheptyl)phthalic acid Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1=CC=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C16H22O4/c1-3-4-5-6-8-11(2)12-9-7-10-13(15(17)18)14(12)16(19)20/h7,9-11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)