3-(9-heptylicosan-10-yl)phthalate

Systemtic Name: 3-(9-heptylicosan-10-yl)phthalate Openeye Name: 3-[1-(1-heptylnonyl)undecyl]phthalate CAS Name: 3-(9-heptyleicosan-10-yl)phthalate IUPAC Name: 3-(9-heptylicosan-10-yl)phthalate Traditional Name: 3-[1-(1-heptylnonyl)undecyl]phthalate Formula: C35H58O4-2 MolecularWeight: 542.83262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C1=CC=CC(=C1C(=O)[O-])C(=O)[O-])C(CCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(C1=CC=CC(=C1C(=O)[O-])C(=O)[O-])C(CCCCCCC)CCCCCCCC

InChI

InChI=1S/C35H60O4/c1-4-7-10-13-15-16-19-22-26-30(31-27-23-28-32(34(36)37)33(31)35(38)39)29(24-20-17-12-9-6-3)25-21-18-14-11-8-5-2/h23,27-30H,4-22,24-26H2,1-3H3,(H,36,37)(H,38,39)/p-2