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
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Found 4 results

Search term: YIMBGAAIWNOSLS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768270

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,41-42,44-45,58H,4-6,8,11,13-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-/t58-/m0/s1
C61H94O6923.39553200
59662954

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,41-42,44-45,58H,4-6,8,11,13-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-/t58-/m1/s1
C61H94O6923.39553400
35026687

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,41-42,44-45,58H,4-6,8,11,13-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-
C61H94O6923.39552100
59699445

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,41-42,44-45,58H,4-6,8,11,13-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7+,12-9+,19-16+,20-17+,21-18+,28-25+,29-26+,32-27+,35-33+,36-34+,44-41+,45-42+/t58-/m0/s1
C61H94O6923.39551100

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