3,4-bis(1-adamantyl)phthalate

Systemtic Name: 3,4-bis(1-adamantyl)phthalate Openeye Name: 3,4-bis(1-adamantyl)phthalate CAS Name: 3,4-bis(1-adamantyl)phthalate IUPAC Name: 3,4-bis(1-adamantyl)phthalate Traditional Name: 3,4-bis(1-adamantyl)phthalate Formula: C28H32O4-2 MolecularWeight: 432.55128

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C(=C(C=C4)C(=O)[O-])C(=O)[O-])C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C(=C(C=C4)C(=O)[O-])C(=O)[O-])C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H34O4/c29-25(30)21-1-2-22(27-9-15-3-16(10-27)5-17(4-15)11-27)24(23(21)26(31)32)28-12-18-6-19(13-28)8-20(7-18)14-28/h1-2,15-20H,3-14H2,(H,29,30)(H,31,32)/p-2