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: RASHCTULIDPHST (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8900203

29 of 29 defined stereocentres - 29/29 defined
InChI=1/C54H88O22/c1-22-31(58)34(61)38(65)45(69-22)76-43-40(73-46-39(66)35(62)32(59)25(20-55)70-46)33(60)26(21-56)71-48(43)75-42-37(64)36(63)41(44(67)68)74-47(42)72-30-13-14-52(7)27(50(30,4)5)12-15-54(9)28(52)11-10-23-24-18-49(2,3)19-29(57)51(24,6)16-17-53(23,54)8/h10,22,24-43,45-48,55-66H,11-21H2,1-9H3,(H,67,68)/t22-,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34+,35-,36-,37-,38+,39+,40-,41-,42+,43+,45-,46-,47+,48-,51+,52-,53+,54+/m0/s1
C54H88O221089.26332100
29814494

27 of 29 defined stereocentres - 27/29 defined
InChI=1/C54H88O22/c1-22-31(58)34(61)38(65)45(69-22)76-43-40(73-46-39(66)35(62)32(59)25(20-55)70-46)33(60)26(21-56)71-48(43)75-42-37(64)36(63)41(44(67)68)74-47(42)72-30-13-14-52(7)27(50(30,4)5)12-15-54(9)28(52)11-10-23-24-18-49(2,3)19-29(57)51(24,6)16-17-53(23,54)8/h10,22,24-43,45-48,55-66H,11-21H2,1-9H3,(H,67,68)/t22-,24-,25+,26+,27?,28?,29+,30-,31-,32+,33-,34+,35-,36-,37-,38+,39+,40-,41-,42+,43+,45-,46-,47+,48-,51+,52-,53+,54+/m0/s1
C54H88O221089.26332100

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