2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-(2-oxidanylidene-2-sulfanyl-ethyl)-2-(1-oxidanylidene-1-sulfanyl-pentadecan-3-yl)pentadecanoic acid

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-(2-oxidanylidene-2-sulfanyl-ethyl)-2-(1-oxidanylidene-1-sulfanyl-pentadecan-3-yl)pentadecanoic acid Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-(2-oxo-2-sulfanyl-ethyl)-2-[1-(2-oxo-2-sulfanyl-ethyl)tridecyl]pentadecanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-(2-mercapto-2-oxoethyl)-2-(1-mercapto-1-oxopentadecan-3-yl)pentadecanoic acid IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-(2-oxo-2-sulfanylethyl)-2-(1-oxo-1-sulfanylpentadecan-3-yl)pentadecanoic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-3-(2-keto-2-mercapto-ethyl)-2-[1-(2-keto-2-mercapto-ethyl)tridecyl]pentadecanoic acid Formula: C47H82O5S2 MolecularWeight: 791.28098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(=O)S)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(CCCCCCCCCCCC)CC(=O)S)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CC(=O)S)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(CCCCCCCCCCCC)CC(=O)S)C(=O)O

InChI

InChI=1S/C47H82O5S2/c1-9-11-13-15-17-19-21-23-25-27-29-37(33-41(48)53)47(44(51)52,35-36-31-39(45(3,4)5)43(50)40(32-36)46(6,7)8)38(34-42(49)54)30-28-26-24-22-20-18-16-14-12-10-2/h31-32,37-38,50H,9-30,33-35H2,1-8H3,(H,48,53)(H,49,54)(H,51,52)