Matches any text strings used to describe a molecule.
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 9 results

Search term: YNZXLMPHTZVKJN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5292333

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14+,22-16+,23-19+,33-20-/t24-,25-,26+,27+,28+,29+,30-,31-,32+,34+,35-,36-,37-,39-/m1/s1
C39H64O10692.9194599999985600
8162755

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14+,22-16+,23-19+,33-20-/t24-,25-,26+,27+,28+,29+,30+,31-,32+,34+,35-,36-,37-,39-/m1/s1
C39H64O10692.91952100
9105727

Double-bond stereo

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14+,22-16+,23-19+,33-20-/t24-,25-,26+,27+,28+,29+,30-,31?,32+,34+,35-,36-,37-,39-/m1/s1
C39H64O10692.91952100
58108250

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14+,22-16+,23-19-,33-20-/t24-,25-,26+,27+,28+,29+,30-,31-,32+,34+,35-,36-,37-,39-/m1/s1
C39H64O10692.91952200
4952772

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14+,22-16+,23-19+,33-20+/t24-,25-,26+,27+,28+,29+,30-,31-,32+,34+,35-,36-,37-,39-/m1/s1
C39H64O10692.91952100
79715571

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14-,22-16-,23-19-,33-20+/t24-,25-,26+,27+,28+,29+,30-,31-,32+,34+,35-,36-,37+,39-/m1/s1
C39H64O10692.91951100
28289387

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14-,22-16-,23-19-,33-20+/t24-,25-,26+,27+,28-,29+,30-,31-,32+,34+,35-,36-,37-,39+/m1/s1
C39H64O10692.91951100
57488713

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14+,22-16-,23-19-,33-20-/t24-,25-,26+,27+,28+,29+,30-,31-,32+,34+,35-,36-,37-,39-/m1/s1
C39H64O10692.91951100

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