3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-2-octyl-benzenecarbothioic S-acid

Systemtic Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-2-octyl-benzenecarbothioic S-acid Openeye Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-2-octyl-benzenecarbothioic S-acid CAS Name: 3,5-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]-2-octylbenzenecarbothioic S-acid IUPAC Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2-octylbenzenecarbothioic S-acid Traditional Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-2-octyl-thiobenzoic acid Formula: C38H58O4S MolecularWeight: 610.92972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1C(=O)S)C(C)(C)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1C(=O)S)C(C)(C)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C38H58O4S/c1-14-15-16-17-18-19-20-25-26(34(41)43)23-29(37(8,9)10)32(30(25)38(11,12)13)42-33(40)24-21-27(35(2,3)4)31(39)28(22-24)36(5,6)7/h21-23,39H,14-20H2,1-13H3,(H,41,43)