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: QPVXKIMLGZQSRP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4975949

Double-bond stereo

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)21-31(49)19-20-35(52)36(53)22-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15-,18-16+/t27-,28+,29-,30+,31-,32+,33-,34-,35-,36-,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
C47H73NO17924.0793800
10137782

Double-bond stereo

14 of 19 defined stereocentres - 14/19 defined
InChI=1/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)21-31(49)19-20-35(52)36(53)22-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5-,9-7-,10-8-,13-11-,14-12-,17-15-,18-16-/t27-,28+,29-,30?,31-,32+,33-,34-,35-,36-,37-,38-,40+,41?,42+,43?,44?,46?,47+/m0/s1
C47H73NO17924.0791100
34524247

Double-bond stereo

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)21-31(49)19-20-35(52)36(53)22-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28+,29-,30+,31-,32+,33-,34-,35-,36-,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
C47H73NO17924.0791600
401858

Double-bond stereo

14 of 19 defined stereocentres - 14/19 defined
InChI=1/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)21-31(49)19-20-35(52)36(53)22-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/t27-,28+,29-,30?,31-,32+,33-,34-,35-,36-,37-,38-,40+,41?,42+,43?,44?,46?,47+/m0/s1
C47H73NO17924.0791100

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