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 68 results

Search term: DNVPQKQSNYMLRS (Found by InChIKey (skeleton match))
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
392539

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
C28H44O396.64841262282427950
4941479

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26+,27+,28+/m0/s1
C28H44O396.6484394923113
4477828

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+
C28H44O396.648422139400
16735990

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27+,28+/m0/s1
C28H44O396.648412141193
17460044

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20-,22+,24-,25?,26?,27+,28-/m1/s1
C28H44O396.648410400
5443327

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26+,27-,28+/m0/s1
C28H44O396.6484108120
17470521

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25?,26?,27-,28+/m0/s1
C28H44O396.64848300
216841

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3
C28H44O396.64848500
17469274

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20-,22+,24-,25+,26?,27+,28-/m1/s1
C28H44O396.64847300
5422926

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20-,22+,24-,25+,26+,27+,28-/m1/s1
C28H44O396.64847600
9444499

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26?,27-,28+/m0/s1
C28H44O396.64846200
57576621

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
C28H44O396.64845300
4937802

Double-bond stereo

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20?,22-,24?,25?,26?,27?,28?/m0/s1
C28H44O396.648441800
4508237

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7-
C28H44O396.64844500
4696732

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7-/t19-,20+,22-,24-,25-,26-,27-,28-/m0/s1
C28H44O396.64843300
4934092

Double-bond stereo

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20?,22-,24?,25?,26?,27-,28?/m0/s1
C28H44O396.64843300
5422924

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20-,22+,24-,25+,26-,27+,28-/m1/s1
C28H44O396.64843200
8106285

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20-,22+,24-,25+,26+,27+,28-/m1/s1
C28H44O396.64843300
24589793

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20-,22-,24+,25-,26-,27-,28+/m0/s1
C28H44O396.64843300
57580161

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26+,27+,28+/m0/s1
C28H44O396.64843200
1234

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