2-sulfanylbutyl 3-tert-butyl-2-(4-hydroxyphenyl)-6,6-dimethyl-heptanoate

Systemtic Name: 2-sulfanylbutyl 3-tert-butyl-2-(4-hydroxyphenyl)-6,6-dimethyl-heptanoate Openeye Name: 2-sulfanylbutyl 3-tert-butyl-2-(4-hydroxyphenyl)-6,6-dimethyl-heptanoate CAS Name: 3-tert-butyl-2-(4-hydroxyphenyl)-6,6-dimethylheptanoic acid 2-mercaptobutyl ester IUPAC Name: 2-sulfanylbutyl 3-tert-butyl-2-(4-hydroxyphenyl)-6,6-dimethylheptanoate Traditional Name: 3-tert-butyl-2-(4-hydroxyphenyl)-6,6-dimethyl-enanthic acid 2-mercaptobutyl ester Formula: C23H38O3S MolecularWeight: 394.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C(C1=CC=C(C=C1)O)C(CCC(C)(C)C)C(C)(C)C)S

Isomeric SMILES

CCC(COC(=O)C(C1=CC=C(C=C1)O)C(CCC(C)(C)C)C(C)(C)C)S

InChI

InChI=1S/C23H38O3S/c1-8-18(27)15-26-21(25)20(16-9-11-17(24)12-10-16)19(23(5,6)7)13-14-22(2,3)4/h9-12,18-20,24,27H,8,13-15H2,1-7H3