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English
S-(10-Hydroxy-9,10-dihydrophenanthren-9-yl)cysteine
group of stereoisomers with the chemical formula C₁₇H₁₇NO₃S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
315.092914404
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₇NO₃S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(CSC1c2ccccc2-c2ccccc2C1O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H](CSC1c2ccccc2-c2ccccc2C1O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H17NO3S/c18-14(17(20)21)9-22-16-13-8-4-2-6-11(13)10-5-1-3-7-12(10)15(16)19/h1-8,14-16,19H,9,18H2,(H,20,21)/t14-,15?,16?/m0/s1
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InChIKey
AQWTVADMYDZBBM-FHERZECASA-N
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CAS Registry Number
25331-33-3
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PubChem CID
152800
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45812223
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60948171
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DSSTOX compound identifier
DTXCID501376409
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