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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2

InChI

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