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: CPGWMQYCDPEZBN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10904548

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H38N2O6/c31-23(29-27-9-17-3-18(10-27)5-19(4-17)11-27)15-35-25(33)1-2-26(34)36-16-24(32)30-28-12-20-6-21(13-28)8-22(7-20)14-28/h1-2,17-22H,3-16H2,(H,29,31)(H,30,32)/b2-1+
C28H38N2O6498.611111900
3876864

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H38N2O6/c31-23(29-27-9-17-3-18(10-27)5-19(4-17)11-27)15-35-25(33)1-2-26(34)36-16-24(32)30-28-12-20-6-21(13-28)8-22(7-20)14-28/h1-2,17-22H,3-16H2,(H,29,31)(H,30,32)
C28H38N2O6498.61112100
62532813

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H38N2O6/c31-23(29-27-9-17-3-18(10-27)5-19(4-17)11-27)15-35-25(33)1-2-26(34)36-16-24(32)30-28-12-20-6-21(13-28)8-22(7-20)14-28/h1-2,17-22H,3-16H2,(H,29,31)(H,30,32)/b2-1+/t17-,18+,19-,20-,21+,22-,27-,28-
C28H38N2O6498.61111100
80795479

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C28H38N2O6/c31-23(29-27-9-17-3-18(10-27)5-19(4-17)11-27)15-35-25(33)1-2-26(34)36-16-24(32)30-28-12-20-6-21(13-28)8-22(7-20)14-28/h1-2,17-22H,3-16H2,(H,29,31)(H,30,32)/b2-1+/t17-,18?,19?,20-,21?,22?,27-,28-
C28H38N2O6498.61111100

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