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

Systemtic Name: [3-(1-adamantyl)-4-methoxy-phenyl]methylsulfinyl benzoate Openeye Name: [3-(1-adamantyl)-4-methoxy-phenyl]methylsulfinyl benzoate CAS Name: benzoic acid [3-(1-adamantyl)-4-methoxyphenyl]methylsulfinyl ester IUPAC Name: [3-(1-adamantyl)-4-methoxyphenyl]methylsulfinyl benzoate Traditional Name: benzoic acid [3-(1-adamantyl)-4-methoxy-benzyl]sulfinyl ester Formula: C25H28O4S MolecularWeight: 424.55242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O4S/c1-28-23-8-7-17(16-30(27)29-24(26)21-5-3-2-4-6-21)12-22(23)25-13-18-9-19(14-25)11-20(10-18)15-25/h2-8,12,18-20H,9-11,13-16H2,1H3