methyl 4-[[3-(1-adamantyl)-4-methoxy-phenyl]methylsulfinyl]benzoate

Systemtic Name: methyl 4-[[3-(1-adamantyl)-4-methoxy-phenyl]methylsulfinyl]benzoate Openeye Name: methyl 4-[[3-(1-adamantyl)-4-methoxy-phenyl]methylsulfinyl]benzoate CAS Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]methylsulfinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-adamantyl)-4-methoxyphenyl]methylsulfinyl]benzoate Traditional Name: 4-[3-(1-adamantyl)-4-methoxy-benzyl]sulfinylbenzoic acid methyl ester Formula: C26H30O4S MolecularWeight: 438.579

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)C2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)C2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30O4S/c1-29-24-8-3-17(16-31(28)22-6-4-21(5-7-22)25(27)30-2)12-23(24)26-13-18-9-19(14-26)11-20(10-18)15-26/h3-8,12,18-20H,9-11,13-16H2,1-2H3