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: MUPJFAKFYZNFES (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2180317

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C17H21NO4/c1-2-3-4-12(17(21)22)18-15(19)13-8-5-6-9(11-7-10(8)11)14(13)16(18)20/h5-6,8-14H,2-4,7H2,1H3,(H,21,22)
C17H21NO4303.35294231500
1480986

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C17H21NO4/c1-2-3-4-12(17(21)22)18-15(19)13-8-5-6-9(11-7-10(8)11)14(13)16(18)20/h5-6,8-14H,2-4,7H2,1H3,(H,21,22)/t8-,9+,10+,11-,12-,13-,14+/m0/s1
C17H21NO4303.35292100
1480985

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C17H21NO4/c1-2-3-4-12(17(21)22)18-15(19)13-8-5-6-9(11-7-10(8)11)14(13)16(18)20/h5-6,8-14H,2-4,7H2,1H3,(H,21,22)/p-1/t8-,9+,10-,11+,12-,13+,14-/m0/s1
C17H20NO4302.34551100

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