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 7 results

Search term: XTDQUGHBBZIKTE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23976507

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C32H40O6/c1-2-3-4-5-9-17-32(35-19-20-36-32)18-16-26-27-21-30(33)37-29(27)22-28(26)38-31(34)25-14-12-24(13-15-25)23-10-7-6-8-11-23/h6-8,10-15,26-29H,2-5,9,16-22H2,1H3/t26-,27-,28?,29+/m1/s1
C32H40O6520.65648300
31046365

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C32H40O6/c1-2-3-4-5-9-17-32(35-19-20-36-32)18-16-26-27-21-30(33)37-29(27)22-28(26)38-31(34)25-14-12-24(13-15-25)23-10-7-6-8-11-23/h6-8,10-15,26-29H,2-5,9,16-22H2,1H3/t26-,27-,28-,29+/m1/s1
C32H40O6520.65647500
48060934

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C32H40O6/c1-2-3-4-5-9-17-32(35-19-20-36-32)18-16-26-27-21-30(33)37-29(27)22-28(26)38-31(34)25-14-12-24(13-15-25)23-10-7-6-8-11-23/h6-8,10-15,26-29H,2-5,9,16-22H2,1H3/t26-,27-,28-,29+/m1/s1/i1D3,2D2,3D2,4D2,5D2,9D2,17D2
C32H25D15O6535.74885700
28590634

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C32H40O6/c1-2-3-4-5-9-17-32(35-19-20-36-32)18-16-26-27-21-30(33)37-29(27)22-28(26)38-31(34)25-14-12-24(13-15-25)23-10-7-6-8-11-23/h6-8,10-15,26-29H,2-5,9,16-22H2,1H3
C32H40O6520.65644200
58805316

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C32H40O6/c1-2-3-4-5-9-17-32(35-19-20-36-32)18-16-26-27-21-30(33)37-29(27)22-28(26)38-31(34)25-14-12-24(13-15-25)23-10-7-6-8-11-23/h6-8,10-15,26-29H,2-5,9,16-22H2,1H3/t26-,27-,28-,29+/m0/s1
C32H40O6520.65642200
78076051

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C32H40O6/c1-2-3-4-5-9-17-32(35-19-20-36-32)18-16-26-27-21-30(33)37-29(27)22-28(26)38-31(34)25-14-12-24(13-15-25)23-10-7-6-8-11-23/h6-8,10-15,26-29H,2-5,9,16-22H2,1H3/t26-,27-,28-,29+/m0/s1/i1D3,2D2,3D2,4D2,5D2,9D2,17D2
C32H25D15O6535.74881100
57426816

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C32H40O6/c1-2-3-4-5-9-17-32(35-19-20-36-32)18-16-26-27-21-30(33)37-29(27)22-28(26)38-31(34)25-14-12-24(13-15-25)23-10-7-6-8-11-23/h6-8,10-15,26-29H,2-5,9,16-22H2,1H3/t26-,27?,28?,29?/m1/s1
C32H40O6520.65641100

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