3-butyl-4-(2-ethylhexyl)phthalic acid

Systemtic Name: 3-butyl-4-(2-ethylhexyl)phthalic acid Openeye Name: 3-butyl-4-(2-ethylhexyl)phthalic acid CAS Name: 3-butyl-4-(2-ethylhexyl)phthalic acid IUPAC Name: 3-butyl-4-(2-ethylhexyl)phthalic acid Traditional Name: 3-butyl-4-(2-ethylhexyl)phthalic acid Formula: C20H30O4 MolecularWeight: 334.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC(CC)CCCC

Isomeric SMILES

CCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC(CC)CCCC

InChI

InChI=1S/C20H30O4/c1-4-7-9-14(6-3)13-15-11-12-17(19(21)22)18(20(23)24)16(15)10-8-5-2/h11-12,14H,4-10,13H2,1-3H3,(H,21,22)(H,23,24)