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(Q82894533)
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English
Acetic acid--1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1/1)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
578.215197288
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₃₄O₁₀
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)O.Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C30H30O8.C2H4O2/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36;1-2(3)4/h7-12,33-38H,1-6H3;1H3,(H,3,4)
0 references
InChIKey
NIOHNDKHQHVLKA-UHFFFAOYSA-N
0 references
CAS Registry Number
115038-46-5
0 references
SureChEMBL ID
SCHEMBL352576
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NIOHNDKHQHVLKA-UHFFFAOYSA-N
DSSTox substance ID
DTXSID90921593
0 references
DSSTOX compound identifier
DTXCID801350484
0 references
UNII
S7RL72610R
1 reference
matched by identifier from
InChIKey
InChIKey
NIOHNDKHQHVLKA-UHFFFAOYSA-N
U9GNI6VT5N
1 reference
matched by identifier from
InChIKey
InChIKey
NIOHNDKHQHVLKA-UHFFFAOYSA-N
Probes And Drugs ID
PD001387
0 references
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