4-(nonadecylamino)phthalic acid

Systemtic Name: 4-(nonadecylamino)phthalic acid Openeye Name: 4-(nonadecylamino)phthalic acid CAS Name: 4-(nonadecylamino)phthalic acid IUPAC Name: 4-(nonadecylamino)phthalic acid Traditional Name: 4-(nonadecylamino)phthalic acid Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-23-19-20-24(26(29)30)25(22-23)27(31)32/h19-20,22,28H,2-18,21H2,1H3,(H,29,30)(H,31,32)