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 8 results

Search term: WFNAKBGANONZEQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2609

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
C18H21ClN2300.8257641961109
599901

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m1/s1
C18H21ClN2300.82579700
599900

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m0/s1
C18H21ClN2300.82577600
58909703

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m1/s1/i1D3
C18H18D3ClN2303.84422200
58910184

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m0/s1/i1D3
C18H18D3ClN2303.84422200
78333848

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/i13D2,14D2
C18H17D4ClN2304.85041100
5296637

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/p+2/t18-/m0/s1
C18H23ClN2302.841621100
5296638

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/p+2/t18-/m1/s1
C18H23ClN2302.841621100

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