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 4 results

Search term: NLLGJEMIZSAJFN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
64579

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H36N2O18S3.2Na/c27-9-15(29)17(31)19(33)21(35)23(46(39,40)41)25-11-1-5-13(6-2-11)45(37,38)14-7-3-12(4-8-14)26-24(47(42,43)44)22(36)20(34)18(32)16(30)10-28;;/h1-8,15-36H,9-10H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/t15-,16-,17-,18-,19+,20+,21-,22-,23+,24+;;/m1../s1
C24H34N2Na2O18S3780.703899999999111000
8615661

Charge

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C24H36N2O18S3.2Na/c27-9-15(29)17(31)19(33)21(35)23(46(39,40)41)25-11-1-5-13(6-2-11)45(37,38)14-7-3-12(4-8-14)26-24(47(42,43)44)22(36)20(34)18(32)16(30)10-28;;/h1-8,15-36H,9-10H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/t15-,16-,17-,18-,19+,20+,21-,22-,23?,24?;;/m1../s1
C24H34N2Na2O18S3780.70398900
16736136

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H36N2O18S3.2Na/c27-9-15(29)17(31)19(33)21(35)23(46(39,40)41)25-11-1-5-13(6-2-11)45(37,38)14-7-3-12(4-8-14)26-24(47(42,43)44)22(36)20(34)18(32)16(30)10-28;;/h1-8,15-36H,9-10H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24+;;/m1../s1
C24H34N2Na2O18S3780.70395647776
28528538

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C24H36N2O18S3.2Na/c27-9-15(29)17(31)19(33)21(35)23(46(39,40)41)25-11-1-5-13(6-2-11)45(37,38)14-7-3-12(4-8-14)26-24(47(42,43)44)22(36)20(34)18(32)16(30)10-28;;/h1-8,15-36H,9-10H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/t15-,16-,17-,18-,19+,20+,21-,22-,23-,24-;;/m1../s1
C24H34N2Na2O18S3780.70393300

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