3-octadecan-9-ylphthalate

Systemtic Name: 3-octadecan-9-ylphthalate Openeye Name: 3-(1-octyldecyl)phthalate CAS Name: 3-octadecan-9-ylphthalate IUPAC Name: 3-octadecan-9-ylphthalate Traditional Name: 3-(1-octyldecyl)phthalate Formula: C26H40O4-2 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-3-5-7-9-11-13-15-18-21(17-14-12-10-8-6-4-2)22-19-16-20-23(25(27)28)24(22)26(29)30/h16,19-21H,3-15,17-18H2,1-2H3,(H,27,28)(H,29,30)/p-2