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 6 results

Search term: BTKOBXLKOUNJAZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4689008

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C40H58O4/c1-26(2)29-17-22-40(25-44-34(42)16-11-27-9-12-28(43-8)13-10-27)24-23-38(6)30(35(29)40)14-15-32-37(5)20-19-33(41)36(3,4)31(37)18-21-39(32,38)7/h9-13,16,29-33,35,41H,1,14-15,17-25H2,2-8H3/b16-11+
C40H58O4602.886110600
17467521

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C40H58O4/c1-26(2)29-17-22-40(25-44-34(42)16-11-27-9-12-28(43-8)13-10-27)24-23-38(6)30(35(29)40)14-15-32-37(5)20-19-33(41)36(3,4)31(37)18-21-39(32,38)7/h9-13,16,29-33,35,41H,1,14-15,17-25H2,2-8H3/b16-11+/t29-,30?,31?,32+,33-,35-,37-,38+,39+,40+/m0/s1
C40H58O4602.88617400
71299259

Double-bond stereo

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C40H58O4/c1-26(2)29-17-22-40(25-44-34(42)16-11-27-9-12-28(43-8)13-10-27)24-23-38(6)30(35(29)40)14-15-32-37(5)20-19-33(41)36(3,4)31(37)18-21-39(32,38)7/h9-13,16,29-33,35,41H,1,14-15,17-25H2,2-8H3/b16-11+/t29?,30?,31?,32?,33?,35?,37-,38+,39+,40?/m0/s1
C40H58O4602.88616600
21337893

Double-bond stereo

2 of 10 defined stereocentres - 2/10 defined
InChI=1/C40H58O4/c1-26(2)29-17-22-40(25-44-34(42)16-11-27-9-12-28(43-8)13-10-27)24-23-38(6)30(35(29)40)14-15-32-37(5)20-19-33(41)36(3,4)31(37)18-21-39(32,38)7/h9-13,16,29-33,35,41H,1,14-15,17-25H2,2-8H3/b16-11+/t29?,30?,31?,32?,33?,35?,37?,38-,39-,40?/m1/s1
C40H58O4602.88614200
25033874

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C40H58O4/c1-26(2)29-17-22-40(25-44-34(42)16-11-27-9-12-28(43-8)13-10-27)24-23-38(6)30(35(29)40)14-15-32-37(5)20-19-33(41)36(3,4)31(37)18-21-39(32,38)7/h9-13,16,29-33,35,41H,1,14-15,17-25H2,2-8H3/b16-11+/t29-,30+,31-,32+,33-,35+,37-,38+,39+,40+/m0/s1
C40H58O4602.88612200
2382605

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C40H58O4/c1-26(2)29-17-22-40(25-44-34(42)16-11-27-9-12-28(43-8)13-10-27)24-23-38(6)30(35(29)40)14-15-32-37(5)20-19-33(41)36(3,4)31(37)18-21-39(32,38)7/h9-13,16,29-33,35,41H,1,14-15,17-25H2,2-8H3
C40H58O4602.8861199999982100

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