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 11 results

Search term: YSOKTNCRCPDOCA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
81422419

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/t16?,17?,18-,19-,20+,21+,22-,23+,24-,26+,27-,28+/m1/s1
C28H45NO2427.66246500
10016541

5 of 12 defined stereocentres - 5/12 defined
InChI=1/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/t16-,17-,18?,19?,20?,21?,22?,23?,24+,26?,27+,28-/m0/s1
C28H45NO2427.66244100
10121755

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,23+,24+,26+,27+,28-/m0/s1
C28H45NO2427.66242100
10121757

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,23-,24+,26+,27+,28-/m0/s1
C28H45NO2427.66242100
10121759

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/t16-,17-,18-,19-,20-,21+,22+,23+,24+,26+,27+,28-/m0/s1
C28H45NO2427.66242100
10121761

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/t16-,17-,18-,19-,20-,21+,22+,23-,24+,26+,27+,28-/m0/s1
C28H45NO2427.66242100
10121760

Charge

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/p+1/t16-,17-,18-,19-,20-,21+,22+,23-,24+,26+,27+,28-/m0/s1
C28H46NO2428.66981100
10121758

Charge

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/p+1/t16-,17-,18-,19-,20-,21+,22+,23+,24+,26+,27+,28-/m0/s1
C28H46NO2428.66981100
10121756

Charge

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/p+1/t16-,17-,18-,19+,20-,21+,22+,23-,24+,26+,27+,28-/m0/s1
C28H46NO2428.66981100
10121754

Charge

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H45NO2/c1-16-9-10-27(3)23-12-19-18(20(23)13-25(30)24(27)11-16)6-7-22-21(19)15-29-14-17(2)5-8-26(29)28(22,4)31/h16-24,26,31H,5-15H2,1-4H3/p+1/t16-,17-,18-,19+,20-,21+,22+,23+,24+,26+,27+,28-/m0/s1
C28H46NO2428.66981100

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