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

Systemtic Name: (4-methoxyphenyl)sulfanylmethyl 3-(1-adamantyl)benzoate Openeye Name: (4-methoxyphenyl)sulfanylmethyl 3-(1-adamantyl)benzoate CAS Name: 3-(1-adamantyl)benzoic acid [(4-methoxyphenyl)thio]methyl ester IUPAC Name: (4-methoxyphenyl)sulfanylmethyl 3-(1-adamantyl)benzoate Traditional Name: 3-(1-adamantyl)benzoic acid [(4-methoxyphenyl)thio]methyl ester Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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