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 5 results

Search term: YRFISMFFADMBIY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
115042419

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H79O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-35-39(43)37-51-53(47,48)52-38-40(44)36-50-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48);1H3/b19-17+,20-18+;
C42H82NO10P792.074951000
57617984

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H79O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-35-39(43)37-51-53(47,48)52-38-40(44)36-50-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48);1H3/b19-17-,20-18-;/t39-,40-;/m1./s1
C42H82NO10P792.07494300
57617985

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H79O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-35-39(43)37-51-53(47,48)52-38-40(44)36-50-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48);1H3/b19-17-,20-18-;/t39-,40-;/m0./s1
C42H82NO10P792.07494300
58801567

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H79O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-35-39(43)37-51-53(47,48)52-38-40(44)36-50-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48);1H3/b19-17-,20-18-;
C42H82NO10P792.07491100
98645124

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H79O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-35-39(43)37-51-53(47,48)52-38-40(44)36-50-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48);1H3/b19-17-,20-18-;/t39-,40+;
C42H82NO10P792.07491200

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