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 2 results

Search term: MSDQYARVLRSHGB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65322927

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H60N4O5.Fe/c1-9-35-31(5)40-27-45-49(46(54)20-18-16-14-12-10-11-13-15-17-19-30(4)29(2)3)34(8)41(53-45)25-38-32(6)36(21-23-47(55)56)43(51-38)28-44-37(22-24-48(57)58)33(7)39(52-44)26-42(35)50-40;/h9,11,13-14,16,19,25-29,46,54H,1,10,12,15,17-18,20-24H2,2-8H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b13-11-,16-14-,30-19+,38-25-,39-26-,40-27-,41-25-,42-26-,43-28-,44-28-,45-27-;/t46-;/m0./s1
C49H58FeN4O5838.85362200
4883385

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H60N4O5.Fe/c1-9-35-31(5)40-27-45-49(46(54)20-18-16-14-12-10-11-13-15-17-19-30(4)29(2)3)34(8)41(53-45)25-38-32(6)36(21-23-47(55)56)43(51-38)28-44-37(22-24-48(57)58)33(7)39(52-44)26-42(35)50-40;/h9,11,13-14,16,19,25-29,46,54H,1,10,12,15,17-18,20-24H2,2-8H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b13-11+,16-14+,30-19+,38-25-,39-26-,40-27-,41-25-,42-26-,43-28-,44-28-,45-27-;
C49H58FeN4O5838.85361100

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