methyl 4-(3-phenylspiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl)benzoate

Systemtic Name: methyl 4-(3-phenylspiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl)benzoate Openeye Name: methyl 4-(3-phenylspiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl)benzoate CAS Name: 4-(3-phenyl-3-spiro[1,2,4-trioxolane-5,2'-adamantane]yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-phenylspiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl)benzoate Traditional Name: 4-(3-phenylspiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl)benzoic acid methyl ester Formula: C25H26O5 MolecularWeight: 406.47094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2(OC3(C4CC5CC(C4)CC3C5)OO2)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2(OC3(C4CC5CC(C4)CC3C5)OO2)C6=CC=CC=C6

InChI

InChI=1S/C25H26O5/c1-27-23(26)18-7-9-20(10-8-18)24(19-5-3-2-4-6-19)28-25(30-29-24)21-12-16-11-17(14-21)15-22(25)13-16/h2-10,16-17,21-22H,11-15H2,1H3