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

Systemtic Name: methyl 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonylsulfanylbenzoate Openeye Name: methyl 4-[3-(1-adamantyl)-4-methoxy-benzoyl]sulfanylbenzoate CAS Name: 4-[[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-adamantyl)-4-methoxybenzoyl]sulfanylbenzoate Traditional Name: 4-[[3-(1-adamantyl)-4-methoxy-benzoyl]thio]benzoic acid methyl ester Formula: C26H28O4S MolecularWeight: 436.56312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28O4S/c1-29-23-8-5-20(25(28)31-21-6-3-19(4-7-21)24(27)30-2)12-22(23)26-13-16-9-17(14-26)11-18(10-16)15-26/h3-8,12,16-18H,9-11,13-15H2,1-2H3