4-(hexadecylamino)phthalate

Systemtic Name: 4-(hexadecylamino)phthalate Openeye Name: 4-(hexadecylamino)phthalate CAS Name: 4-(hexadecylamino)phthalate IUPAC Name: 4-(hexadecylamino)phthalate Traditional Name: 4-(cetylamino)phthalate Formula: C24H37NO4-2 MolecularWeight: 403.55488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C24H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-20-16-17-21(23(26)27)22(19-20)24(28)29/h16-17,19,25H,2-15,18H2,1H3,(H,26,27)(H,28,29)/p-2