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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 16 results

Search term: OZPNRDQPQFOURL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4451488

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22-,23+,24-,25-,27-/m1/s1
C27H46O3418.6523400000016600
24823355

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19+,22-,23+,24-,25-,27-/m1/s1
C27H46O3418.65235600
24823357

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19-,22+,23-,24+,25+,27+/m0/s1
C27H46O3418.65234500
31125326

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19-,22-,23+,24-,25-,27-/m1/s1
C27H46O3418.65233300
31125718

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19+,22+,23-,24+,25+,27+/m0/s1
C27H46O3418.65233300
7826594

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22+,23-,24+,25+,27+/m0/s1
C27H46O3418.65233300
7999098

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22?,23?,24+,25+,27+/m0/s1
C27H46O3418.65232100
8155043

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22-,23+,24-,25+,27-/m1/s1
C27H46O3418.65232100
8223219

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22-,23-,24-,25+,27-/m1/s1
C27H46O3418.65232100
8312333

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22?,23-,24+,25+,27+/m0/s1
C27H46O3418.65232100
8355829

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22?,23+,24-,25-,27-/m1/s1
C27H46O3418.65232100
8585237

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22-,23-,24-,25-,27-/m1/s1
C27H46O3418.65232100
8749457

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22?,23?,24-,25-,27-/m1/s1
C27H46O3418.65232100

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