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3-octan-3-ylphthalate

3-octan-3-ylphthalate

Systemtic Name:3-octan-3-ylphthalate
Openeye Name:3-(1-ethylhexyl)phthalate
CAS Name:3-octan-3-ylphthalate
IUPAC Name:3-octan-3-ylphthalate
Traditional Name:3-(1-ethylhexyl)phthalate
Formula: C16H20O4-2
MolecularWeight: 276.3276
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=CC=CC(=C1C(=O)[O-])C(=O)[O-]


Isomeric SMILES

CCCCCC(CC)C1=CC=CC(=C1C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C16H22O4/c1-3-5-6-8-11(4-2)12-9-7-10-13(15(17)18)14(12)16(19)20/h7,9-11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)/p-2


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