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: NXSMZYQLQNEMOK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7826467

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O3/c1-20(10-7-6-8-16-28(3,4)32)25-14-15-26-22(11-9-17-29(25,26)5)12-13-23-18-24(30)19-27(31)21(23)2/h12-13,20,24-27,30-32H,2,6-11,14-19H2,1,3-5H3/b22-12+,23-13-/t20-,24-,25-,26+,27+,29-/m1/s1
C29H48O3444.68965400
7826468

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H48O3/c1-20(10-7-6-8-16-28(3,4)32)25-14-15-26-22(11-9-17-29(25,26)5)12-13-23-18-24(30)19-27(31)21(23)2/h12-13,20,24-27,30-32H,2,6-11,14-19H2,1,3-5H3/b22-12+,23-13-/t20-,24+,25+,26-,27-,29+/m0/s1
C29H48O3444.68963400
4948087

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C29H48O3/c1-20(10-7-6-8-16-28(3,4)32)25-14-15-26-22(11-9-17-29(25,26)5)12-13-23-18-24(30)19-27(31)21(23)2/h12-13,20,24-27,30-32H,2,6-11,14-19H2,1,3-5H3/b22-12+,23-13+/t20?,24-,25-,26+,27+,29-/m1/s1
C29H48O3444.68963300
8564216

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C29H48O3/c1-20(10-7-6-8-16-28(3,4)32)25-14-15-26-22(11-9-17-29(25,26)5)12-13-23-18-24(30)19-27(31)21(23)2/h12-13,20,24-27,30-32H,2,6-11,14-19H2,1,3-5H3/b22-12+,23-13-/t20-,24-,25?,26?,27+,29-/m1/s1
C29H48O3444.68962100

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