3-(2-ethylhexyl)-4-hexyl-phthalate; 4-hexyl-3-(7-methyloctyl)phthalic acid

Systemtic Name: 3-(2-ethylhexyl)-4-hexyl-phthalate; 4-hexyl-3-(7-methyloctyl)phthalic acid Openeye Name: 3-(2-ethylhexyl)-4-hexyl-phthalate; 4-hexyl-3-(7-methyloctyl)phthalic acid CAS Name: 3-(2-ethylhexyl)-4-hexylphthalate; 4-hexyl-3-(7-methyloctyl)phthalic acid IUPAC Name: 3-(2-ethylhexyl)-4-hexylphthalate; 4-hexyl-3-(7-methyloctyl)phthalic acid Traditional Name: 3-(2-ethylhexyl)-4-hexyl-phthalate; 4-hexyl-3-(7-methyloctyl)phthalic acid Formula: C45H68O8-2 MolecularWeight: 737.01662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCCCCC(C)C.CCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(CC)CCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCCCCC(C)C.CCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(CC)CCCC

InChI

InChI=1S/C23H36O4.C22H34O4/c1-4-5-6-10-13-18-15-16-20(22(24)25)21(23(26)27)19(18)14-11-8-7-9-12-17(2)3;1-4-7-9-10-12-17-13-14-18(21(23)24)20(22(25)26)19(17)15-16(6-3)11-8-5-2/h15-17H,4-14H2,1-3H3,(H,24,25)(H,26,27);13-14,16H,4-12,15H2,1-3H3,(H,23,24)(H,25,26)/p-2