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calcium 3-[3-(3,5-ditert-butyl-2-oxidanyl-phenyl)propylsulfanyl]propanoate

calcium 3-[3-(3,5-ditert-butyl-2-oxidanyl-phenyl)propylsulfanyl]propanoate

Systemtic Name:calcium 3-[3-(3,5-ditert-butyl-2-oxidanyl-phenyl)propylsulfanyl]propanoate
Openeye Name:calcium 3-[3-(3,5-ditert-butyl-2-hydroxy-phenyl)propylsulfanyl]propanoate
CAS Name:calcium 3-[3-(3,5-ditert-butyl-2-hydroxyphenyl)propylthio]propanoate
IUPAC Name:calcium 3-[3-(3,5-ditert-butyl-2-hydroxyphenyl)propylsulfanyl]propanoate
Traditional Name:calcium 3-[3-(3,5-ditert-butyl-2-hydroxy-phenyl)propylthio]propionate
Formula: C40H62CaO6S2
MolecularWeight: 743.12468
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CCCSCCC(=O)[O-].CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CCCSCCC(=O)[O-].[Ca+2]


Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CCCSCCC(=O)[O-].CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CCCSCCC(=O)[O-].[Ca+2]


InChI

InChI=1S/2C20H32O3S.Ca/c2*1-19(2,3)15-12-14(8-7-10-24-11-9-17(21)22)18(23)16(13-15)20(4,5)6;/h2*12-13,23H,7-11H2,1-6H3,(H,21,22);/q;;+2/p-2


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