(3,5-dimethyl-4-oxidanyl-phenyl)methyl 2-sulfanylicosanoate

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)methyl 2-sulfanylicosanoate Openeye Name: (4-hydroxy-3,5-dimethyl-phenyl)methyl 2-sulfanylicosanoate CAS Name: 2-mercaptoeicosanoic acid (4-hydroxy-3,5-dimethylphenyl)methyl ester IUPAC Name: (4-hydroxy-3,5-dimethylphenyl)methyl 2-sulfanylicosanoate Traditional Name: 2-mercaptoarachidic acid (4-hydroxy-3,5-dimethyl-benzyl) ester Formula: C29H50O3S MolecularWeight: 478.7705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(=O)OCC1=CC(=C(C(=C1)C)O)C)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(=O)OCC1=CC(=C(C(=C1)C)O)C)S

InChI

InChI=1S/C29H50O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(33)29(31)32-23-26-21-24(2)28(30)25(3)22-26/h21-22,27,30,33H,4-20,23H2,1-3H3