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: RBWGLMHXPBBZJO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9710279

39 of 40 defined stereocentres - 39/40 defined
InChI=1/C48H80O40/c49-1-9-17(57)18(58)25(65)41(73-9)88-40-32(72)39-16(8-56)80-48(40)87-38-15(7-55)79-46(31(71)24(38)64)85-36-13(5-53)77-44(29(69)22(36)62)83-34-11(3-51)75-42(27(67)20(34)60)81-33-10(2-50)74-43(26(66)19(33)59)82-35-12(4-52)76-45(28(68)21(35)61)84-37-14(6-54)78-47(86-39)30(70)23(37)63/h9-72H,1-8H2/t9-,10+,11+,12+,13+,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+,47+,48+/m0/s1
C48H80O401297.12482100
13108738

39 of 40 defined stereocentres - 39/40 defined
InChI=1/C48H80O40/c49-1-9-17(57)18(58)25(65)41(73-9)88-40-32(72)39-16(8-56)80-48(40)87-38-15(7-55)79-46(31(71)24(38)64)85-36-13(5-53)77-44(29(69)22(36)62)83-34-11(3-51)75-42(27(67)20(34)60)81-33-10(2-50)74-43(26(66)19(33)59)82-35-12(4-52)76-45(28(68)21(35)61)84-37-14(6-54)78-47(86-39)30(70)23(37)63/h9-72H,1-8H2/t9-,10+,11+,12+,13+,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+,47+,48+/m0/s1
C48H80O401297.12481100

Advertisement