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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 21 results

Search term: IFLWVSHRWAIVQF (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470843

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1
C12H13NO4235.23592161630
8235513

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8-,9+,10+/m0/s1
C12H13NO4235.2359111300
2015311

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10?/m1/s1
C12H13NO4235.235926400
8167243

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m0/s1
C12H13NO4235.23596500
5496410

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10+/m1/s1
C12H13NO4235.23595400
8856586

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8-,9-,10-/m1/s1
C12H13NO4235.23595400
8880236

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8-,9+,10-/m1/s1
C12H13NO4235.23595400
8880237

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10-/m1/s1
C12H13NO4235.23595400
8927537

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10-/m0/s1
C12H13NO4235.23595400
8927538

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8-,9-,10+/m1/s1
C12H13NO4235.23595400
8374074

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8-,9+,10+/m1/s1
C12H13NO4235.23595400
8665316

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10-/m0/s1
C12H13NO4235.23595400
8665317

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10+/m0/s1
C12H13NO4235.23595400
8689295

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10-/m1/s1
C12H13NO4235.23595400
8689296

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8-,9-,10+/m0/s1
C12H13NO4235.23595500
8689297

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8-,9-,10-/m0/s1
C12H13NO4235.23595400
23164561

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8-,9+,10?/m0/s1
C12H13NO4235.23593300
8713090

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8-,9+,10-/m0/s1
C12H13NO4235.23592100
10662917

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)
C12H13NO4235.23592200
8167242

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8?,9+,10-/m0/s1
C12H13NO4235.23592100
12

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