ethyl 5-(3,5-dimethylphenyl)sulfanyl-12-(imidazol-1-ylmethylperoxy)-2-methyl-12-oxidanylidene-4-propan-2-yl-dodecanoate

Systemtic Name: ethyl 5-(3,5-dimethylphenyl)sulfanyl-12-(imidazol-1-ylmethylperoxy)-2-methyl-12-oxidanylidene-4-propan-2-yl-dodecanoate Openeye Name: ethyl 5-(3,5-dimethylphenyl)sulfanyl-12-(imidazol-1-ylmethylperoxy)-4-isopropyl-2-methyl-12-oxo-dodecanoate CAS Name: 5-[(3,5-dimethylphenyl)thio]-12-(1-imidazolylmethyldioxy)-2-methyl-12-oxo-4-propan-2-yldodecanoic acid ethyl ester IUPAC Name: ethyl 5-(3,5-dimethylphenyl)sulfanyl-12-(imidazol-1-ylmethylperoxy)-2-methyl-12-oxo-4-propan-2-yldodecanoate Traditional Name: 5-[(3,5-dimethylphenyl)thio]-12-(imidazol-1-ylmethylperoxy)-4-isopropyl-12-keto-2-methyl-lauric acid ethyl ester Formula: C30H46N2O5S MolecularWeight: 546.76164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CC(C(C)C)C(CCCCCCC(=O)OOCN1C=CN=C1)SC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C(C)CC(C(C)C)C(CCCCCCC(=O)OOCN1C=CN=C1)SC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C30H46N2O5S/c1-7-35-30(34)25(6)19-27(22(2)3)28(38-26-17-23(4)16-24(5)18-26)12-10-8-9-11-13-29(33)37-36-21-32-15-14-31-20-32/h14-18,20,22,25,27-28H,7-13,19,21H2,1-6H3