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 3 results

Search term: APEHGLQXFOZAEF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24767113

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,9,11-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
C50H80NO8P854.14596600
24822658

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,9,11-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-
C50H80NO8P854.14591100
59698217

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,9,11-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8+,16-14+,17-15+,22-20+,23-21+,27-25+,30-28+,33-31+,36-34+,39-37+/t48-/m1/s1
C50H80NO8P854.14591100

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