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: BAXJCGVWCCLFEQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10166467

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19+,24+,25-,26+,27-,28+,29-,31-/m1/s1
C31H46O5498.69395400
10166596

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19-,24+,25-,26+,27-,28+,29-,31-/m1/s1
C31H46O5498.69395400
10167112

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19-,24+,25-,26+,27-,28-,29-,31-/m1/s1
C31H46O5498.69395400
10167902

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19+,24+,25-,26+,27-,28-,29-,31-/m1/s1
C31H46O5498.69395400
9823732

Double-bond stereo

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10-,23-11+/t18?,19?,24?,25-,26+,27?,28?,29?,31-/m1/s1
C31H46O5498.69392100

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