[2-[4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)phenyl]-2-oxidanylidene-ethyl] benzenecarboperoxoate

Systemtic Name: [2-[4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)phenyl]-2-oxidanylidene-ethyl] benzenecarboperoxoate Openeye Name: [2-[4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)phenyl]-2-oxo-ethyl] benzenecarboperoxoate CAS Name: benzenecarboperoxoic acid [2-[4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)phenyl]-2-oxoethyl] benzenecarboperoxoate Traditional Name: benzenecarboperoxoic acid [2-[4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)phenyl]-2-keto-ethyl] ester Formula: C29H34O7 MolecularWeight: 494.57606

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=CC(=C1)C(=O)COOC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOC1=C(C=CC(=C1)C(=O)COOC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H34O7/c1-19(32-2)33-18-34-27-13-24(26(30)17-35-36-28(31)23-6-4-3-5-7-23)8-9-25(27)29-14-20-10-21(15-29)12-22(11-20)16-29/h3-9,13,19-22H,10-12,14-18H2,1-2H3