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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 25 results

Search term: BPKAHTKRCLCHEA (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444552

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1
C27H44O3416.6365941102480
28637820

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1/i3D3,4D3
C27H38D6O3422.6734111900
29212154

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25-,27-/m1/s1
C27H44O3416.63658600
29737502

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11-/t18-,19+,22-,23-,24-,25+,27-/m1/s1
C27H44O3416.63654300
27471466

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19-,22-,23-,24-,25+,27-/m1/s1
C27H44O3416.63654400
35308374

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11-/t18-,19+,22-,23-,24-,25+,27-/m1/s1/i3D3,4D3
C27H38D6O3422.67344500
3826749

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3
C27H44O3416.63653200
68057749

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8u,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1
C27H44O3416.63652100
107445499

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,20-10u,21-11+/t18-,19+,22-,23+,24+,25+,27+/m0/s1
C27H44O3416.63651200
111309315

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22+,23+,24+,25-,27+/m1/s1
C27H44O3416.63651100
111313402

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8-,21-11-/t18?,19-,22+,23+,24+,25-,27+/m0/s1
C27H44O3416.63651100
113065462

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11u/t18-,19+,22-,23-,24-,25-,27-/m1/s1
C27H44O3416.63651100
113065464

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11u/t18-,19+,22-,23-,24-,25+,27-/m1/s1
C27H44O3416.63651100
113618155

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22+,23+,24+,25-,27+/m0/s1
C27H44O3416.63651100
114391473

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8-,21-11u/t18-,19+,22-,23-,24+,25+,27-/m1/s1
C27H44O3416.63651100
114392615

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25?,27-/m1/s1
C27H44O3416.63651100
114392617

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25?,27-/m1/s1/i3D3,4D3
C27H38D6O3422.67341100
29787778

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,20-10-,21-11+/t18?,19?,22?,23-,24-,25?,27-/m1/s1
C27H44O3416.63651100
12

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