3-(5-phenylnonan-5-yl)phthalate

Systemtic Name: 3-(5-phenylnonan-5-yl)phthalate Openeye Name: 3-(1-butyl-1-phenyl-pentyl)phthalate CAS Name: 3-(5-phenylnonan-5-yl)phthalate IUPAC Name: 3-(5-phenylnonan-5-yl)phthalate Traditional Name: 3-(1-butyl-1-phenyl-pentyl)phthalate Formula: C23H26O4-2 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C1=CC=CC=C1)C2=CC=CC(=C2C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(CCCC)(C1=CC=CC=C1)C2=CC=CC(=C2C(=O)[O-])C(=O)[O-]

InChI

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