3-nonan-4-ylphthalic acid

Systemtic Name: 3-nonan-4-ylphthalic acid Openeye Name: 3-(1-propylhexyl)phthalic acid CAS Name: 3-nonan-4-ylphthalic acid IUPAC Name: 3-nonan-4-ylphthalic acid Traditional Name: 3-(1-propylhexyl)phthalic acid Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)C1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(CCC)C1=CC=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C17H24O4/c1-3-5-6-9-12(8-4-2)13-10-7-11-14(16(18)19)15(13)17(20)21/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,19)(H,20,21)