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 29 results

Search term: OILXMJHPFNGGTO (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444704

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
C28H46O398.66424814930
4446752

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
C28H46O398.6642400000011811000
4941517

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19?,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
C28H46O398.6642101600
4517898

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+
C28H46O398.664291400
4937703

Double-bond stereo

1 of 9 defined stereocentres - 1/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19?,20?,22-,23?,24?,25?,26?,27?,28?/m0/s1
C28H46O398.664261900
34997401

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7-/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
C28H46O398.66425500
57620675

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
C28H46O398.66424200
78084

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3
C28H46O398.66424500
4941618

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7-/t19?,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
C28H46O398.66424400
4474790

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7-/t19?,20?,22-,23?,24+,25?,26?,27-,28+/m0/s1
C28H46O398.66424300
4477826

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7-
C28H46O398.66423300
8245023

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19?,20?,22-,23?,24+,25-,26-,27-,28+/m0/s1
C28H46O398.66422100
10072281

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7-/t19-,20+,22-,23+,24+,25-,26+,27-,28+/m0/s1
C28H46O398.66422100
10072282

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7-/t19-,20-,22+,23-,24-,25+,26-,27+,28-/m1/s1
C28H46O398.66422100
10072283

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7-/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m0/s1
C28H46O398.66422100
10072284

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7-/t19-,20-,22+,23-,24-,25-,26-,27+,28-/m1/s1
C28H46O398.66422100
111310158

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22+,23+,24+,25-,26-,27+,28-/m0/s1
C28H46O398.66421100
113609054

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24-,25-,26+,27+,28+/m0/s1
C28H46O398.66421100
114393510

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22+,23+,24-,25+,26+,27+,28-/m0/s1
C28H46O398.66421100
114816553

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/t19-,20+,22-,23+,24+,25-,26-,27+,28-/m0/s1
C28H46O398.66421100
12

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