3-(7-methyloctyl)-4-pentyl-phthalate

Systemtic Name: 3-(7-methyloctyl)-4-pentyl-phthalate Openeye Name: 3-(7-methyloctyl)-4-pentyl-phthalate CAS Name: 3-(7-methyloctyl)-4-pentylphthalate IUPAC Name: 3-(7-methyloctyl)-4-pentylphthalate Traditional Name: 4-amyl-3-(7-methyloctyl)phthalate Formula: C22H32O4-2 MolecularWeight: 360.48708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCC(C)C

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCC(C)C

InChI

InChI=1S/C22H34O4/c1-4-5-8-12-17-14-15-19(21(23)24)20(22(25)26)18(17)13-10-7-6-9-11-16(2)3/h14-16H,4-13H2,1-3H3,(H,23,24)(H,25,26)/p-2