(4-methylphenyl)carbothioyl 3-(1-adamantyl)benzenecarboperoxoate

Systemtic Name: (4-methylphenyl)carbothioyl 3-(1-adamantyl)benzenecarboperoxoate Openeye Name: (4-methylbenzenecarbothioyl) 3-(1-adamantyl)benzenecarboperoxoate CAS Name: 3-(1-adamantyl)benzenecarboperoxoic acid [(4-methylphenyl)-sulfanylidenemethyl] ester IUPAC Name: (4-methylbenzenecarbothioyl) 3-(1-adamantyl)benzenecarboperoxoate Traditional Name: 3-(1-adamantyl)benzenecarboperoxoic acid (4-methylthiobenzoyl) ester Formula: C25H26O3S MolecularWeight: 406.53714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)OOC(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)OOC(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H26O3S/c1-16-5-7-20(8-6-16)24(29)28-27-23(26)21-3-2-4-22(12-21)25-13-17-9-18(14-25)11-19(10-17)15-25/h2-8,12,17-19H,9-11,13-15H2,1H3