ethyl 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonylsulfanylbenzoate

Systemtic Name: ethyl 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonylsulfanylbenzoate Openeye Name: ethyl 4-[3-(1-adamantyl)-4-methoxy-benzoyl]sulfanylbenzoate CAS Name: 4-[[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethyl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-adamantyl)-4-methoxybenzoyl]sulfanylbenzoate Traditional Name: 4-[[3-(1-adamantyl)-4-methoxy-benzoyl]thio]benzoic acid ethyl ester Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30O4S/c1-3-31-25(28)20-4-7-22(8-5-20)32-26(29)21-6-9-24(30-2)23(13-21)27-14-17-10-18(15-27)12-19(11-17)16-27/h4-9,13,17-19H,3,10-12,14-16H2,1-2H3