[(1R,2S,3S,5S,7R)-4-(2-adamantylidene)-2-adamantyl] ethanoate

Systemtic Name: [(1R,2S,3S,5S,7R)-4-(2-adamantylidene)-2-adamantyl] ethanoate Openeye Name: [(1R,2S,3S,5S,7R)-4-(2-adamantylidene)-2-adamantyl] acetate CAS Name: acetic acid [(1R,2S,3S,5S,7R)-4-(2-adamantylidene)-2-adamantyl] ester IUPAC Name: [(1R,2S,3S,5S,7R)-4-(2-adamantylidene)-2-adamantyl] acetate Traditional Name: acetic acid [(1R,2S,3S,5S,7R)-4-(2-adamantylidene)-2-adamantyl] ester Formula: C22H30O2 MolecularWeight: 326.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2CC3CC(C2)C(=C4C5CC6CC(C5)CC4C6)C1C3

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C(=C4C5CC6CC(C5)CC4C6)[C@@H]1C3

InChI

InChI=1S/C22H30O2/c1-11(23)24-22-18-8-14-7-17(10-18)21(19(22)9-14)20-15-3-12-2-13(5-15)6-16(20)4-12/h12-19,22H,2-10H2,1H3/t12?,13?,14-,15?,16?,17+,18-,19+,22+/m1/s1