4-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfonylmethyl]benzoic acid

Systemtic Name: 4-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfonylmethyl]benzoic acid Openeye Name: 4-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfonylmethyl]benzoic acid CAS Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]sulfonylmethyl]benzoic acid IUPAC Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]sulfonylmethyl]benzoic acid Traditional Name: 4-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfonylmethyl]benzoic acid Formula: C25H28O5S MolecularWeight: 440.55182

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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)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C25H28O5S/c1-30-23-7-6-21(31(28,29)15-16-2-4-20(5-3-16)24(26)27)11-22(23)25-12-17-8-18(13-25)10-19(9-17)14-25/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,26,27)