[3-[4-(2-adamantyl)-3-methoxy-1,2-dioxetan-3-yl]phenyl] ethanoate

Systemtic Name: [3-[4-(2-adamantyl)-3-methoxy-1,2-dioxetan-3-yl]phenyl] ethanoate Openeye Name: [3-[4-(2-adamantyl)-3-methoxy-dioxetan-3-yl]phenyl] acetate CAS Name: acetic acid [3-[4-(2-adamantyl)-3-methoxy-3-dioxetanyl]phenyl] ester IUPAC Name: [3-[4-(2-adamantyl)-3-methoxydioxetan-3-yl]phenyl] acetate Traditional Name: acetic acid [3-[4-(2-adamantyl)-3-methoxy-dioxetan-3-yl]phenyl] ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C2(C(OO2)C3C4CC5CC(C4)CC3C5)OC

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C2(C(OO2)C3C4CC5CC(C4)CC3C5)OC

InChI

InChI=1S/C21H26O5/c1-12(22)24-18-5-3-4-17(11-18)21(23-2)20(25-26-21)19-15-7-13-6-14(9-15)10-16(19)8-13/h3-5,11,13-16,19-20H,6-10H2,1-2H3