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

Systemtic Name: 2-hydroxyethyl 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonylsulfanylbenzoate Openeye Name: 2-hydroxyethyl 4-[3-(1-adamantyl)-4-methoxy-benzoyl]sulfanylbenzoate CAS Name: 4-[[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethyl]thio]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-[3-(1-adamantyl)-4-methoxybenzoyl]sulfanylbenzoate Traditional Name: 4-[[3-(1-adamantyl)-4-methoxy-benzoyl]thio]benzoic acid 2-hydroxyethyl ester Formula: C27H30O5S MolecularWeight: 466.5891

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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)OCCO)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C27H30O5S/c1-31-24-7-4-21(13-23(24)27-14-17-10-18(15-27)12-19(11-17)16-27)26(30)33-22-5-2-20(3-6-22)25(29)32-9-8-28/h2-7,13,17-19,28H,8-12,14-16H2,1H3