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 2 results

Search term: NJSVHWLZVMMJLN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
114811215

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C20H27N4O12P/c1-19-13-14-20(19,2)16(28)22-18(30)24(14)12-4-8(9(5-25)34-12)36-37(31,32)33-6-10-7(26)3-11(35-10)23(13)17(29)21-15(19)27/h7-14,25-26H,3-6H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30)/t7-,8?,9+,10?,11+,12+,13+,14-,19-,20+/m0/s1
C20H27N4O12P546.42171100
114811218

8 of 10 defined stereocentres - 8/10 defined

Non-standard isotope
InChI=1/C20H27N4O12P/c1-19-13-14-20(19,2)16(28)22-18(30)24(14)12-4-8(9(5-25)34-12)36-37(31,32)33-6-10-7(26)3-11(35-10)23(13)17(29)21-15(19)27/h7-14,25-26H,3-6H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30)/t7-,8?,9+,10?,11+,12+,13+,14-,19-,20+/m0/s1/i1+1,2+1
C1813C2H27N4O12P548.40711300

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