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
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Found 4 results

Search term: NIPMSDJZBJJBEX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7861453

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H30N2O4/c1-20(2)9-16-10-21(3,13-20)14-23(16)19(24)12-27-22-11-15-6-7-17(25-4)18(8-15)26-5/h6-8,11,16H,9-10,12-14H2,1-5H3/b22-11+
C21H30N2O4374.4739211700
2202978

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H30N2O4/c1-20(2)9-16-10-21(3,13-20)14-23(16)19(24)12-27-22-11-15-6-7-17(25-4)18(8-15)26-5/h6-8,11,16H,9-10,12-14H2,1-5H3
C21H30N2O4374.47394200
4610039

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H30N2O4/c1-20(2)9-16-10-21(3,13-20)14-23(16)19(24)12-27-22-11-15-6-7-17(25-4)18(8-15)26-5/h6-8,11,16H,9-10,12-14H2,1-5H3/b22-11-/t16-,21-/m0/s1
C21H30N2O4374.47392100
5609214

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H30N2O4/c1-20(2)9-16-10-21(3,13-20)14-23(16)19(24)12-27-22-11-15-6-7-17(25-4)18(8-15)26-5/h6-8,11,16H,9-10,12-14H2,1-5H3/b22-11-/t16-,21-/m1/s1
C21H30N2O4374.47392100

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