3-(2-methylhexyl)phthalic acid

Systemtic Name: 3-(2-methylhexyl)phthalic acid Openeye Name: 3-(2-methylhexyl)phthalic acid CAS Name: 3-(2-methylhexyl)phthalic acid IUPAC Name: 3-(2-methylhexyl)phthalic acid Traditional Name: 3-(2-methylhexyl)phthalic acid Formula: C15H20O4 MolecularWeight: 264.3169

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(C)CC1=CC=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C15H20O4/c1-3-4-6-10(2)9-11-7-5-8-12(14(16)17)13(11)15(18)19/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,16,17)(H,18,19)