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
Additional Filters

Found 4 results

Search term: LYJSSATYGDCKFQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
501514

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C30H30O8/c1-18-5-11-21(12-6-18)27(31)35-17-24-25(37-28(32)22-13-7-19(2)8-14-22)26(30(34-4)36-24)38-29(33)23-15-9-20(3)10-16-23/h5-16,24-26,30H,17H2,1-4H3
C30H30O8518.55443400
9191990

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C30H30O8/c1-18-5-11-21(12-6-18)27(31)35-17-24-25(37-28(32)22-13-7-19(2)8-14-22)26(30(34-4)36-24)38-29(33)23-15-9-20(3)10-16-23/h5-16,24-26,30H,17H2,1-4H3/t24-,25-,26-,30?/m1/s1/i17D2,24D,25D,26D
C30H25D5O8523.58522200
9331747

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C30H30O8/c1-18-5-11-21(12-6-18)27(31)35-17-24-25(37-28(32)22-13-7-19(2)8-14-22)26(30(34-4)36-24)38-29(33)23-15-9-20(3)10-16-23/h5-16,24-26,30H,17H2,1-4H3/t24-,25-,26-,30?/m1/s1/i26D
C30H29DO8519.56062200
9378237

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C30H30O8/c1-18-5-11-21(12-6-18)27(31)35-17-24-25(37-28(32)22-13-7-19(2)8-14-22)26(30(34-4)36-24)38-29(33)23-15-9-20(3)10-16-23/h5-16,24-26,30H,17H2,1-4H3/t24-,25-,26-,30-/m1/s1/i26D
C30H29DO8519.56062200

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