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: ANHCGTXOAYQDKJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29215496

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H46O10/c1-22-13-12-19-24(38-2)16-8-3-6-14-23(33)15-7-4-9-17-25(18-10-5-11-20-27(34)39-22)40-31-30(37)29(36)28(35)26(21-32)41-31/h3-11,16-17,20,22-26,28-33,35-37H,12-15,18-19,21H2,1-2H3/b6-3+,7-4-,10-5+,16-8-,17-9+,20-11-/t22-,23-,24?,25-,26-,28-,29+,30-,31-/m1/s1
C31H46O10578.69093300
29215495

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H46O10/c1-22-13-12-19-24(38-2)16-8-3-6-14-23(33)15-7-4-9-17-25(18-10-5-11-20-27(34)39-22)40-31-30(37)29(36)28(35)26(21-32)41-31/h3-11,16-17,20,22-26,28-33,35-37H,12-15,18-19,21H2,1-2H3/b6-3+,7-4+,10-5+,16-8+,17-9+,20-11-/t22-,23-,24?,25-,26-,28-,29+,30-,31-/m1/s1
C31H46O10578.69092200
78441400

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H46O10/c1-22-13-12-19-24(38-2)16-8-3-6-14-23(33)15-7-4-9-17-25(18-10-5-11-20-27(34)39-22)40-31-30(37)29(36)28(35)26(21-32)41-31/h3-11,16-17,20,22-26,28-33,35-37H,12-15,18-19,21H2,1-2H3/b6-3?,7-4+,10-5+,16-8+,17-9+,20-11-/t22-,23-,24?,25-,26-,28-,29+,30-,31-/m1/s1
C31H46O10578.69091100

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