butyl 4-[3-(1-adamantyl)-4-methyl-phenyl]carbothioyloxybenzoate

Systemtic Name: butyl 4-[3-(1-adamantyl)-4-methyl-phenyl]carbothioyloxybenzoate Openeye Name: butyl 4-[3-(1-adamantyl)-4-methyl-benzenecarbothioyl]oxybenzoate CAS Name: 4-[[3-(1-adamantyl)-4-methylphenyl]-sulfanylidenemethoxy]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(1-adamantyl)-4-methylbenzenecarbothioyl]oxybenzoate Traditional Name: 4-[3-(1-adamantyl)-4-methyl-thiobenzoyl]oxybenzoic acid butyl ester Formula: C29H34O3S MolecularWeight: 462.64346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=S)C2=CC(=C(C=C2)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=S)C2=CC(=C(C=C2)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H34O3S/c1-3-4-11-31-27(30)23-7-9-25(10-8-23)32-28(33)24-6-5-19(2)26(15-24)29-16-20-12-21(17-29)14-22(13-20)18-29/h5-10,15,20-22H,3-4,11-14,16-18H2,1-2H3