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 8 results

Search term: HVAVRRBYXYEBNC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4947775

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C28H44O2/c1-19(2)28(6,30)17-15-21(4)25-13-14-26-22(8-7-16-27(25,26)5)10-11-23-18-24(29)12-9-20(23)3/h10-11,15,17,19,21,24-26,29-30H,3,7-9,12-14,16,18H2,1-2,4-6H3/b17-15+,22-10+,23-11-/t21-,24+,25-,26+,27-,28?/m1/s1
C28H44O2412.64784500
8085272

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H44O2/c1-19(2)28(6,30)17-15-21(4)25-13-14-26-22(8-7-16-27(25,26)5)10-11-23-18-24(29)12-9-20(23)3/h10-11,15,17,19,21,24-26,29-30H,3,7-9,12-14,16,18H2,1-2,4-6H3/b17-15+,22-10+,23-11-/t21-,24+,25-,26+,27-,28-/m1/s1
C28H44O2412.64783200
8426622

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C28H44O2/c1-19(2)28(6,30)17-15-21(4)25-13-14-26-22(8-7-16-27(25,26)5)10-11-23-18-24(29)12-9-20(23)3/h10-11,15,17,19,21,24-26,29-30H,3,7-9,12-14,16,18H2,1-2,4-6H3/b17-15+,22-10-,23-11-/t21?,24-,25?,26?,27+,28+/m0/s1
C28H44O2412.64782100
9410363

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H44O2/c1-19(2)28(6,30)17-15-21(4)25-13-14-26-22(8-7-16-27(25,26)5)10-11-23-18-24(29)12-9-20(23)3/h10-11,15,17,19,21,24-26,29-30H,3,7-9,12-14,16,18H2,1-2,4-6H3/b17-15+,22-10+,23-11+/t21-,24+,25-,26+,27-,28-/m1/s1
C28H44O2412.64782100
8042079

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C28H44O2/c1-19(2)28(6,30)17-15-21(4)25-13-14-26-22(8-7-16-27(25,26)5)10-11-23-18-24(29)12-9-20(23)3/h10-11,15,17,19,21,24-26,29-30H,3,7-9,12-14,16,18H2,1-2,4-6H3/b17-15+,22-10-,23-11+/t21?,24-,25+,26?,27?,28+/m0/s1
C28H44O2412.64782100
13163961

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C28H44O2/c1-19(2)28(6,30)17-15-21(4)25-13-14-26-22(8-7-16-27(25,26)5)10-11-23-18-24(29)12-9-20(23)3/h10-11,15,17,19,21,24-26,29-30H,3,7-9,12-14,16,18H2,1-2,4-6H3/b17-15+,22-10+,23-11+/t21-,24+,25?,26?,27-,28-/m1/s1
C28H44O2412.64781100
57496198

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C28H44O2/c1-19(2)28(6,30)17-15-21(4)25-13-14-26-22(8-7-16-27(25,26)5)10-11-23-18-24(29)12-9-20(23)3/h10-11,15,17,19,21,24-26,29-30H,3,7-9,12-14,16,18H2,1-2,4-6H3/b17-15+,22-10+,23-11-/t21-,24+,25-,26?,27-,28-/m1/s1
C28H44O2412.64781100

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