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English
Benzo(a)pyrenetetrol II 1
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
320.10485899199995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Benzo(a)pyrenetetrol I 2
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₁₆O₄
0 references
canonical SMILES
OC1c2cc3ccc4cccc5ccc(c2C(O)C(O)C1O)c3c45
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@H]([C@@H]([C@H]5O)O)O)O)C=C2
0 references
Identifiers
InChI
InChI=1S/C20H16O4/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(22)20(24)19(17)23/h1-8,17-24H/t17-,18-,19+,20+/m0/s1
0 references
InChIKey
KWFVZAJQUSRMCC-VNTMZGSJSA-N
0 references
CAS Registry Number
61490-67-3
1 reference
InChIKey
KWFVZAJQUSRMCC-VNTMZGSJSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=61490-67-3
PubChem CID
43674
1 reference
matched by identifier from
InChIKey
InChIKey
KWFVZAJQUSRMCC-VNTMZGSJSA-N
UniChem compound ID
64389508
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10210456
1 reference
matched by identifier from
InChIKey
InChIKey
KWFVZAJQUSRMCC-VNTMZGSJSA-N
DSSTOX compound identifier
DTXCID10132947
0 references
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