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3-(6-methylheptyl)phthalate

3-(6-methylheptyl)phthalate

Systemtic Name:3-(6-methylheptyl)phthalate
Openeye Name:3-(6-methylheptyl)phthalate
CAS Name:3-(6-methylheptyl)phthalate
IUPAC Name:3-(6-methylheptyl)phthalate
Traditional Name:3-(6-methylheptyl)phthalate
Formula: C16H20O4-2
MolecularWeight: 276.3276
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]


Isomeric SMILES

CC(C)CCCCCC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C16H22O4/c1-11(2)7-4-3-5-8-12-9-6-10-13(15(17)18)14(12)16(19)20/h6,9-11H,3-5,7-8H2,1-2H3,(H,17,18)(H,19,20)/p-2


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