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 6 results

Search term: MPTSWFXLMIATGU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768181

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39-40,43-44H,3-4,9-10,15-16,21-38H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-,40+/m0/s1
C42H71O10P766.98095500
8593139

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39-40,43-44H,3-4,9-10,15-16,21-38H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-
C42H71O10P766.98093200
59699576

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39-40,43-44H,3-4,9-10,15-16,21-38H2,1-2H3,(H,47,48)/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+/t39-,40+/m0/s1
C42H71O10P766.98091100
95709242

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39-40,43-44H,3-4,9-10,15-16,21-38H2,1-2H3,(H,47,48)/p-1/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+
C42H70O10P765.97351100
95709243

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39-40,43-44H,3-4,9-10,15-16,21-38H2,1-2H3,(H,47,48)/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+
C42H71O10P766.98091100
95709244

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,39-40,43-44H,3-4,9-10,15-16,21-38H2,1-2H3,(H,47,48)/b7-5+,8-6+,13-11-,14-12-,19-17-,20-18-
C42H71O10P766.98091100

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