carbamodithioic acid; tridecyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: carbamodithioic acid; tridecyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]ethanoate Openeye Name: carbamodithioic acid; tridecyl 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]acetate CAS Name: carbamodithioic acid; 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]acetic acid tridecyl ester IUPAC Name: carbamodithioic acid; tridecyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetate Traditional Name: carbamodithioic acid; 2-[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]acetic acid tridecyl ester Formula: C31H55NO3S3 MolecularWeight: 585.9683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CSCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C(=S)(N)S

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CSCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C(=S)(N)S

InChI

InChI=1S/C30H52O3S.CH3NS2/c1-8-9-10-11-12-13-14-15-16-17-18-19-33-27(31)23-34-22-24-20-25(29(2,3)4)28(32)26(21-24)30(5,6)7;2-1(3)4/h20-21,32H,8-19,22-23H2,1-7H3;(H3,2,3,4)