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3-(6-methylheptyl)-4-(phenylmethyl)phthalate

3-(6-methylheptyl)-4-(phenylmethyl)phthalate

Systemtic Name:3-(6-methylheptyl)-4-(phenylmethyl)phthalate
Openeye Name:4-benzyl-3-(6-methylheptyl)phthalate
CAS Name:3-(6-methylheptyl)-4-(phenylmethyl)phthalate
IUPAC Name:4-benzyl-3-(6-methylheptyl)phthalate
Traditional Name:4-benzyl-3-(6-methylheptyl)phthalate
Formula: C23H26O4-2
MolecularWeight: 366.45014
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2


Isomeric SMILES

CC(C)CCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2


InChI

InChI=1S/C23H28O4/c1-16(2)9-5-3-8-12-19-18(15-17-10-6-4-7-11-17)13-14-20(22(24)25)21(19)23(26)27/h4,6-7,10-11,13-14,16H,3,5,8-9,12,15H2,1-2H3,(H,24,25)(H,26,27)/p-2


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