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3-octyl-4-(phenylmethyl)phthalate

3-octyl-4-(phenylmethyl)phthalate

Systemtic Name:3-octyl-4-(phenylmethyl)phthalate
Openeye Name:4-benzyl-3-octyl-phthalate
CAS Name:3-octyl-4-(phenylmethyl)phthalate
IUPAC Name:4-benzyl-3-octylphthalate
Traditional Name:4-benzyl-3-octyl-phthalate
Formula: C23H26O4-2
MolecularWeight: 366.45014
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2


Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2


InChI

InChI=1S/C23H28O4/c1-2-3-4-5-6-10-13-19-18(16-17-11-8-7-9-12-17)14-15-20(22(24)25)21(19)23(26)27/h7-9,11-12,14-15H,2-6,10,13,16H2,1H3,(H,24,25)(H,26,27)/p-2


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