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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 15 results

Search term: OXSBBBPDYVCAKC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13628096

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
C27H48O5452.66791300
4447338

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16-,17-,18?,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
C27H48O5452.6670200000018800
4447300

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
C27H48O5452.6670200000016800
20171410

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
C27H48O5452.6675500
20171431

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16-,17-,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
C27H48O5452.6675500
59651437

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16-,17+,18-,19?,20?,21-,22+,23-,24-,26-,27+/m0/s1
C27H48O5452.6675600
13628108

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17+,18?,19+,20-,21-,22+,23-,24-,26-,27+/m0/s1
C27H48O5452.6674500
107445348

12 of 12 defined stereocentres - 12/12 defined

Non-standard isotope
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3
C27H42D6O5458.7041200
128919214

12 of 12 defined stereocentres - 12/12 defined

Non-standard isotope
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16-,17-,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3
C27H42D6O5458.7041400
21374967

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16?,17?,18?,19-,20+,21+,22?,23?,24+,26+,27-/m1/s1
C27H48O5452.6671100
13628100

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3
C27H48O5452.6671300

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