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 3 results

Search term: JMZGFZVDYYMNMH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4590967

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C24H29N7O4/c25-23(26)28-13-7-12-19(21(32)15-29-27)30-22(33)20(14-17-8-3-1-4-9-17)31-24(34)35-16-18-10-5-2-6-11-18/h1-6,8-11,15,19-20H,7,12-14,16H2,(H6-,25,26,28,30,31,32,33,34)/b21-15-/t19-,20-/m0/s1
C24H29N7O4479.53163300
5289663

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C24H29N7O4/c25-23(26)28-13-7-12-19(21(32)15-29-27)30-22(33)20(14-17-8-3-1-4-9-17)31-24(34)35-16-18-10-5-2-6-11-18/h1-6,8-11,15,19-20H,7,12-14,16H2,(H6-,25,26,28,30,31,32,33,34)/p+1/b21-15-/t19-,20-/m0/s1
C24H30N7O4480.53952200
68023416

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C24H29N7O4/c25-23(26)28-13-7-12-19(21(32)15-29-27)30-22(33)20(14-17-8-3-1-4-9-17)31-24(34)35-16-18-10-5-2-6-11-18/h1-6,8-11,15,19-20H,7,12-14,16H2,(H6-,25,26,28,30,31,32,33,34)/b21-15-
C24H29N7O4479.53161100

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