Matches any text strings used to describe a molecule.
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 9 results

Search term: CITVZWPAGDTXQI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19128762

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3/t6-,9+,10+,11-,12+/m0/s1
C12H17NO5255.2671372800
168205

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3/t6-,9+,10+,11-,12-/m0/s1
C12H17NO5255.2671141300
2934331

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3
C12H17NO5255.267085300
30783128

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3/t6-,9+,10+,11-,12+/m1/s1
C12H17NO5255.26715200
21217513

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3/t6-,9+,10-,11-,12-/m0/s1
C12H17NO5255.26712100
98606436

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3/t6?,9-,10+,11?,12+/m1/s1
C12H17NO5255.26711100
113618407

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3/t6?,9-,10+,11?,12-/m1/s1
C12H17NO5255.26711100
114393892

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3/t6-,9+,10-,11+,12+/m0/s1
C12H17NO5255.26711100
128925040

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3/t6-,9+,10-,11-,12+/m0/s1
C12H17NO5255.26711100

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