tridecyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoate

Systemtic Name: tridecyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoate Openeye Name: tridecyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-sulfanyl-propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-mercaptopropanoic acid tridecyl ester IUPAC Name: tridecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-sulfanylpropanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-mercapto-propionic acid tridecyl ester Formula: C30H52O3S MolecularWeight: 492.79708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S

InChI

InChI=1S/C30H52O3S/c1-8-9-10-11-12-13-14-15-16-17-18-19-33-28(32)26(34)22-23-20-24(29(2,3)4)27(31)25(21-23)30(5,6)7/h20-21,26,31,34H,8-19,22H2,1-7H3