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

Systemtic Name: (4-methoxyphenyl)carbonylsulfanyl 3-(1-adamantyl)benzoate Openeye Name: (4-methoxybenzoyl)sulfanyl 3-(1-adamantyl)benzoate CAS Name: 3-(1-adamantyl)benzoic acid [[(4-methoxyphenyl)-oxomethyl]thio] ester IUPAC Name: (4-methoxybenzoyl)sulfanyl 3-(1-adamantyl)benzoate Traditional Name: 3-(1-adamantyl)benzoic acid (p-anisoylthio) ester Formula: C25H26O4S MolecularWeight: 422.53654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26O4S/c1-28-22-7-5-19(6-8-22)24(27)30-29-23(26)20-3-2-4-21(12-20)25-13-16-9-17(14-25)11-18(10-16)15-25/h2-8,12,16-18H,9-11,13-15H2,1H3