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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 12 results

Search term: BCPZDSVCYKERMU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28290941

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,21+,23+,24+,25-/m1/s1
C25H40O5420.5821423000
12545485

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14?,15-,16+,17?,18?,19?,21-,23?,24-,25+/m0/s1
C25H40O5420.58217200
10047106

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,21+,23-,24+,25-/m1/s1
C25H40O5420.58213200
10047107

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15-,16+,17+,18-,19+,21-,23+,24-,25+/m0/s1
C25H40O5420.58213200
4934111

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14?,15-,16+,17?,18?,19?,21-,23?,24?,25?/m0/s1
C25H40O5420.58213300
10047105

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,21-,23+,24-,25+/m0/s1
C25H40O5420.58212100
1399660

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15+,16+,17-,18-,19+,21-,23-,24+,25-/m1/s1
C25H40O5420.58212100
2970044

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3
C25H40O5420.58212100
10047108

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19-,21+,23-,24+,25-/m1/s1
C25H40O5420.58212100
78273025

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,21+,23+,24+,25-/m0/s1
C25H40O5420.58211100
113606984

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,19-,21+,23-,24-,25+/m1/s1
C25H40O5420.58211100

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