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
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Found 4 results

Search term: RHIXBFQKTNYVCX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28533113

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C34H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(37)33(39)30(29-36)35-34(40)32(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-33,36-39H,3-29H2,1-2H3,(H,35,40)/t30-,31+,32?,33-/m0/s1
C34H69NO5571.91545600
98645149

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C34H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(37)33(39)30(29-36)35-34(40)32(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-33,36-39H,3-29H2,1-2H3,(H,35,40)/t30-,31+,32-,33-/m0/s1/i2D3,4D2,6D2,8D2
C34H60D9NO5580.97083300
98645228

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C34H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(37)33(39)30(29-36)35-34(40)32(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-33,36-39H,3-29H2,1-2H3,(H,35,40)/t30-,31+,32+,33-/m0/s1/i2D3,4D2,6D2,8D2
C34H60D9NO5580.97083300
4479729

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C34H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(37)33(39)30(29-36)35-34(40)32(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-33,36-39H,3-29H2,1-2H3,(H,35,40)/t30-,31+,32+,33-/m0/s1
C34H69NO5571.91542200

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