(2-methyl-4-propan-2-yl-phenyl) 2-(4-butylphenyl)-2-methyl-4-oxidanylidene-3-(1,3-thiazol-5-yl)hexaneperoxoate

Systemtic Name: (2-methyl-4-propan-2-yl-phenyl) 2-(4-butylphenyl)-2-methyl-4-oxidanylidene-3-(1,3-thiazol-5-yl)hexaneperoxoate Openeye Name: (4-isopropyl-2-methyl-phenyl) 2-(4-butylphenyl)-2-methyl-4-oxo-3-thiazol-5-yl-hexaneperoxoate CAS Name: 2-(4-butylphenyl)-2-methyl-4-oxo-3-(5-thiazolyl)hexaneperoxoic acid (2-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (2-methyl-4-propan-2-ylphenyl) 2-(4-butylphenyl)-2-methyl-4-oxo-3-(1,3-thiazol-5-yl)hexaneperoxoate Traditional Name: 2-(4-butylphenyl)-4-keto-2-methyl-3-thiazol-5-yl-hexaneperoxoic acid (4-isopropyl-2-methyl-phenyl) ester Formula: C30H37NO4S MolecularWeight: 507.68408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C)(C(C2=CN=CS2)C(=O)CC)C(=O)OOC3=C(C=C(C=C3)C(C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C)(C(C2=CN=CS2)C(=O)CC)C(=O)OOC3=C(C=C(C=C3)C(C)C)C

InChI

InChI=1S/C30H37NO4S/c1-7-9-10-22-11-14-24(15-12-22)30(6,28(25(32)8-2)27-18-31-19-36-27)29(33)35-34-26-16-13-23(20(3)4)17-21(26)5/h11-20,28H,7-10H2,1-6H3