adamantane tribenzoate

Systemtic Name: adamantane tribenzoate Openeye Name: adamantane tribenzoate CAS Name: adamantane tribenzoate IUPAC Name: adamantane tribenzoate Traditional Name: adamantane tribenzoate Formula: C31H31O6-3 MolecularWeight: 499.57424

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C10H16.3C7H6O2/c1-7-2-9-4-8(1)5-10(3-7)6-9;3*8-7(9)6-4-2-1-3-5-6/h7-10H,1-6H2;3*1-5H,(H,8,9)/p-3