S-(4-hydroxyphenyl) 3-(1-adamantyl)-4-methoxy-benzenecarbothioate

Systemtic Name: S-(4-hydroxyphenyl) 3-(1-adamantyl)-4-methoxy-benzenecarbothioate Openeye Name: S-(4-hydroxyphenyl) 3-(1-adamantyl)-4-methoxy-benzenecarbothioate CAS Name: 3-(1-adamantyl)-4-methoxybenzenecarbothioic acid S-(4-hydroxyphenyl) ester IUPAC Name: S-(4-hydroxyphenyl) 3-(1-adamantyl)-4-methoxybenzenecarbothioate Traditional Name: 3-(1-adamantyl)-4-methoxy-thiobenzoic acid S-(4-hydroxyphenyl) ester Formula: C24H26O3S MolecularWeight: 394.52644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O3S/c1-27-22-7-2-18(23(26)28-20-5-3-19(25)4-6-20)11-21(22)24-12-15-8-16(13-24)10-17(9-15)14-24/h2-7,11,15-17,25H,8-10,12-14H2,1H3