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 2 results

Search term: KIAGZJJOMMNKBW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2557550

0 of 34 defined stereocentres - 0/34 defined
InChI=1/C46H78N2O36/c1-11(55)47-13(3-49)22(58)37(14(57)4-50)81-41-21(48-12(2)56)28(64)38(18(8-54)78-41)82-46-36(72)40(84-45-34(70)31(67)25(61)17(7-53)77-45)27(63)20(80-46)10-74-43-35(71)39(83-44-33(69)30(66)24(60)16(6-52)76-44)26(62)19(79-43)9-73-42-32(68)29(65)23(59)15(5-51)75-42/h3,13-46,50-54,57-72H,4-10H2,1-2H3,(H,47,55)(H,48,56)
C46H78N2O361235.10332100
62846409

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C46H78N2O36/c1-11(55)47-13(3-49)22(58)37(14(57)4-50)81-41-21(48-12(2)56)28(64)38(18(8-54)78-41)82-46-36(72)40(84-45-34(70)31(67)25(61)17(7-53)77-45)27(63)20(80-46)10-74-43-35(71)39(83-44-33(69)30(66)24(60)16(6-52)76-44)26(62)19(79-43)9-73-42-32(68)29(65)23(59)15(5-51)75-42/h3,13-46,50-54,57-72H,4-10H2,1-2H3,(H,47,55)(H,48,56)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,44+,45+,46-/m0/s1
C46H78N2O361235.10332100

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