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 9 results

Search term: IAIDUHCBNLFXEF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83422

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1
C22H23NO4S2429.5523525800
16736587

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18-,19-/m0/s1
C22H23NO4S2429.5523101200
10444128

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)
C22H23NO4S2429.552346400
57267567

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19-/m1/s1
C22H23NO4S2429.55233200
115009066

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1/i2D,4D,5D,8D,9D
C22H18D5NO4S2434.58313300
31150853

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/p-1/t15-,18+,19+/m1/s1
C22H22NO4S2428.54492200
114392580

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19-/m1/s1/i3D,6D,7D,10D,11D
C22H18D5NO4S2434.58311100
114392711

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19-/m1/s1/i2D,4D,5D,8D,9D
C22H18D5NO4S2434.58311100

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