3-(1-phenylnonan-2-yl)phthalate

Systemtic Name: 3-(1-phenylnonan-2-yl)phthalate Openeye Name: 3-(1-benzyloctyl)phthalate CAS Name: 3-(1-phenylnonan-2-yl)phthalate IUPAC Name: 3-(1-phenylnonan-2-yl)phthalate Traditional Name: 3-(1-benzyloctyl)phthalate Formula: C23H26O4-2 MolecularWeight: 366.45014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC1=CC=CC=C1)C2=CC=CC(=C2C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCC(CC1=CC=CC=C1)C2=CC=CC(=C2C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H28O4/c1-2-3-4-5-9-13-18(16-17-11-7-6-8-12-17)19-14-10-15-20(22(24)25)21(19)23(26)27/h6-8,10-12,14-15,18H,2-5,9,13,16H2,1H3,(H,24,25)(H,26,27)/p-2