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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
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Found 36 results

Search term: DTXXSJZBSTYZKE (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4911262

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1
C26H42O4418.6093788202
28637784

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1/i3D3,4D3
C26H36D6O4424.6463111100
29341843

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9+/t18-,21+,22+,23-,24-,26+/m0/s1
C26H42O4418.60937400
7968649

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21-,22-,23+,24+,26-/m1/s1
C26H42O4418.60934500
8107481

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23?,24+,26+/m0/s1
C26H42O4418.60934300
18627715

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8-,20-9+/t18-,21+,22+,23-,24-,26+/m0/s1
C26H42O4418.60934200
23498840

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9+
C26H42O4418.609331890
7826255

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24+,26+/m0/s1
C26H42O4418.60933400
3878

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3
C26H42O4418.60933200
7977914

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18?,21-,22-,23+,24+,26-/m1/s1
C26H42O4418.60932100
8427271

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1/i3T3/t18-,21+,22+,23-,24-,25?,26+
C26H39T3O4424.63362200
30845941

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8-,20-9+/t18?,21-,22-,23+,24+,26-/m1/s1
C26H42O4418.60932400
62320716

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8-,20-9+/t18-,21-,22+,23-,24-,26+/m1/s1
C26H42O4418.60932200
62453660

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9+/t18-,21-,22-,23-,24-,26+/m1/s1
C26H42O4418.60932200
62501772

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9+/t18-,21-,22+,23-,24-,26+/m0/s1
C26H42O4418.60932200
62544729

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9+/t18-,21+,22+,23+,24+,26-/m0/s1
C26H42O4418.60932200
62544730

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9+/t18-,21+,22+,23+,24+,26-/m1/s1
C26H42O4418.60932200
71117612

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23+,24-,26+/m0/s1
C26H42O4418.60932200
12

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