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

Systemtic Name: methyl 4-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfonylmethyl]benzoate Openeye Name: methyl 4-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfonylmethyl]benzoate CAS Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-adamantyl)-4-methoxyphenyl]sulfonylmethyl]benzoate Traditional Name: 4-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfonylmethyl]benzoic acid methyl ester Formula: C26H30O5S MolecularWeight: 454.5784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30O5S/c1-30-24-8-7-22(32(28,29)16-17-3-5-21(6-4-17)25(27)31-2)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