(4-methoxyphenyl)methylsulfanyl 3-(1-adamantyl)benzoate

Systemtic Name: (4-methoxyphenyl)methylsulfanyl 3-(1-adamantyl)benzoate Openeye Name: (4-methoxyphenyl)methylsulfanyl 3-(1-adamantyl)benzoate CAS Name: 3-(1-adamantyl)benzoic acid [(4-methoxyphenyl)methylthio] ester IUPAC Name: (4-methoxyphenyl)methylsulfanyl 3-(1-adamantyl)benzoate Traditional Name: 3-(1-adamantyl)benzoic acid (p-anisylthio) ester Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O3S/c1-27-23-7-5-17(6-8-23)16-29-28-24(26)21-3-2-4-22(12-21)25-13-18-9-19(14-25)11-20(10-18)15-25/h2-8,12,18-20H,9-11,13-16H2,1H3