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 6 results

Search term: PATGTGZENOSISQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4233840

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H20ClNO5/c1-12-7-8-16(28-12)19(24)17-18(13-4-2-5-14(22)10-13)23(21(26)20(17)25)11-15-6-3-9-27-15/h2,4-5,7-8,10,15,18,25H,3,6,9,11H2,1H3
C21H20ClNO5401.8402231300
888436

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H20ClNO5/c1-12-7-8-16(28-12)19(24)17-18(13-4-2-5-14(22)10-13)23(21(26)20(17)25)11-15-6-3-9-27-15/h2,4-5,7-8,10,15,18,25H,3,6,9,11H2,1H3/t15-,18+/m1/s1
C21H20ClNO5401.84023200
888437

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H20ClNO5/c1-12-7-8-16(28-12)19(24)17-18(13-4-2-5-14(22)10-13)23(21(26)20(17)25)11-15-6-3-9-27-15/h2,4-5,7-8,10,15,18,25H,3,6,9,11H2,1H3/t15-,18-/m1/s1
C21H20ClNO5401.84022100
888438

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H20ClNO5/c1-12-7-8-16(28-12)19(24)17-18(13-4-2-5-14(22)10-13)23(21(26)20(17)25)11-15-6-3-9-27-15/h2,4-5,7-8,10,15,18,25H,3,6,9,11H2,1H3/t15-,18-/m0/s1
C21H20ClNO5401.84022100
888439

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H20ClNO5/c1-12-7-8-16(28-12)19(24)17-18(13-4-2-5-14(22)10-13)23(21(26)20(17)25)11-15-6-3-9-27-15/h2,4-5,7-8,10,15,18,25H,3,6,9,11H2,1H3/t15-,18+/m0/s1
C21H20ClNO5401.84022100
116084122

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H20ClNO5/c1-12-7-8-16(28-12)19(24)17-18(13-4-2-5-14(22)10-13)23(21(26)20(17)25)11-15-6-3-9-27-15/h2,4-5,7-8,10,15,18,25H,3,6,9,11H2,1H3/p-1/t15-,18+/m1/s1
C21H19ClNO5400.83281100

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