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English
EINECS 253-558-4
group of stereoisomers with the chemical formula C₂₉H₂₈N₂O₆S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
532.166807616
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₂₈N₂O₆S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1(C)C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(N=C(O)COc3ccccc3)C2S1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C29H28N2O6S/c1-29(2)25(28(34)37-24(19-12-6-3-7-13-19)20-14-8-4-9-15-20)31-26(33)23(27(31)38(29)35)30-22(32)18-36-21-16-10-5-11-17-21/h3-17,23-25,27H,18H2,1-2H3,(H,30,32)/t23-,25+,27-,38?/m1/s1
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InChIKey
LCRVLXSXMGVJHV-KWNWCNBBSA-N
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CAS Registry Number
37591-67-6
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PubChem CID
112090
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
25938213
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00191028
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DSSTOX compound identifier
DTXCID10113519
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