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 6 results

Search term: SJXRKKYXNZWKDB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
87719

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9+/m0/s1
C11H14N4O3250.2539292520
233991

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3
C11H14N4O3250.2539101100
21377117

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9?/m0/s1
C11H14N4O3250.25394500
26330099

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9-/m1/s1
C11H14N4O3250.25394400
57383545

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9-/m0/s1
C11H14N4O3250.25392100
114394343

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8-,9-/m1/s1/i4T,5T
C11H12T2N4O3254.27011100

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