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3-(3,5,5-trimethylhexyl)phthalate

3-(3,5,5-trimethylhexyl)phthalate

Systemtic Name:3-(3,5,5-trimethylhexyl)phthalate
Openeye Name:3-(3,5,5-trimethylhexyl)phthalate
CAS Name:3-(3,5,5-trimethylhexyl)phthalate
IUPAC Name:3-(3,5,5-trimethylhexyl)phthalate
Traditional Name:3-(3,5,5-trimethylhexyl)phthalate
Formula: C17H22O4-2
MolecularWeight: 290.35418
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-])CC(C)(C)C


Isomeric SMILES

CC(CCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-])CC(C)(C)C


InChI

InChI=1S/C17H24O4/c1-11(10-17(2,3)4)8-9-12-6-5-7-13(15(18)19)14(12)16(20)21/h5-7,11H,8-10H2,1-4H3,(H,18,19)(H,20,21)/p-2


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