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 12 results

Search term: KQRGETZTRARSMA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
18600147

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
C20H26O2298.4192464401
7972068

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14?,15?,16?,19-,20+/m1/s1
C20H26O2298.41924200
27471894

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15+,16-,19+,20+/m1/s1
C20H26O2298.41922100
58784460

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1/i2D3
C20H23D3O2301.43772400
62501019

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15-,16+,19+,20-/m1/s1
C20H26O2298.41922200
62501020

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15+,16-,19+,20-/m0/s1
C20H26O2298.41922200
62501021

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15-,16+,19+,20-/m0/s1
C20H26O2298.41922200
107444516

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15+,16+,19+,20-/m0/s1
C20H26O2298.41921100
111312218

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15+,16+,19+,20-/m1/s1
C20H26O2298.41921100
113606931

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15-,16-,19+,20-/m1/s1
C20H26O2298.41921100
114812575

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15-,16+,19-,20-/m0/s1
C20H26O2298.41921100

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