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 7 results

Search term: JOQKFRLFXDPXHX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
171431

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3
C22H23NS333.4897121200
65121

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/t17-,18-/m0/s1
C22H23NS333.489781000
19970223

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/b22-16-/t17-,18+/m0/s1
C22H23NS333.48977700
19970222

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/b22-16-/t17-,18+/m1/s1
C22H23NS333.48975500
59008681

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/t17-,18+
C22H23NS333.48974500
114814419

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/t17-,18-/m1/s1
C22H23NS333.48971100
128918529

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3/i1+1D3
C2113CH20D3NS337.50091200

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