4-(1-adamantyl)phthalate

Systemtic Name: 4-(1-adamantyl)phthalate Openeye Name: 4-(1-adamantyl)phthalate CAS Name: 4-(1-adamantyl)phthalate IUPAC Name: 4-(1-adamantyl)phthalate Traditional Name: 4-(1-adamantyl)phthalate Formula: C18H18O4-2 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H20O4/c19-16(20)14-2-1-13(6-15(14)17(21)22)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H,19,20)(H,21,22)/p-2