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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 20 results

Search term: KLZOTDOJMRMLDX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4450786

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1
C29H48O4460.689525200
7826476

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24+,25+,26-,27-,28+/m0/s1
C29H48O4460.6896600
26330009

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11-,23-12-/t21-,24-,25+,26+,27+,28-/m0/s1
C29H48O4460.6894400
28641708

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11-,23-12+/t21-,24-,25-,26+,27+,28-/m1/s1
C29H48O4460.6893300
28942205

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11-,23-12+/t21-,24+,25+,26-,27-,28+/m0/s1
C29H48O4460.6892200
62557481

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11-,23-12-/t21-,24-,25-,26-,27-,28+/m0/s1
C29H48O4460.6892200
8022810

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11-,23-12+/t21-,24-,25?,26+,27+,28-/m1/s1
C29H48O4460.6892100
67153349

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11u,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1
C29H48O4460.6892200
68024221

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12+/t21-,24+,25+,26-,27-,28+/m0/s1
C29H48O4460.6892200
88297872

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24+,25-,26+,27-,28-/m1/s1
C29H48O4460.6892100
3674504

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3
C29H48O4460.6890200000012100
111311897

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11-,23-12-/t21-,24-,25-,26+,27+,28-/m0/s1
C29H48O4460.6891100
114391532

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11u,23-12+/t21-,24-,25+,26+,27+,28-/m1/s1
C29H48O4460.6891100
78075854

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11u,23-12-/t21-,24+,25+,26-,27-,28+/m0/s1
C29H48O4460.6891200
64873368

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12+/t21-,24-,25-,26+,27+,28-/m1/s1
C29H48O4460.6891100

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