6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid; phenylcarbonyl benzenecarboperoxoate

Systemtic Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid; phenylcarbonyl benzenecarboperoxoate Openeye Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid; benzoyl benzenecarboperoxoate CAS Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthalenecarboxylic acid; benzenecarboperoxoic acid benzoyl ester IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid; benzoyl benzenecarboperoxoate Traditional Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]-2-naphthoic acid; benzenecarboperoxoic acid benzoyl ester Formula: C42H38O7 MolecularWeight: 654.74692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H28O3.C14H10O4/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28;15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30);1-10H