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 10 results

Search term: QYYDXDSPYPOWRO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
166888

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23-/m1/s1
C23H38O4378.5454313600
8105308

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19-,21+,22+,23-/m1/s1
C23H38O4378.54547600
30783434

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14?,15+,16-,17+,18+,19+,21+,22+,23-/m1/s1
C23H38O4378.54547700
2342898

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17?,18?,19-,21?,22+,23-/m1/s1
C23H38O4378.545424200
58784651

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23-/m1/s1/i6D2,11D2,15D
C23H33D5O4383.57623600
8175310

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13?,14-,15+,16?,17?,18?,19-,21?,22-,23+/m0/s1
C23H38O4378.54542100
29787698

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13?,14-,15?,16?,17?,18?,19-,21-,22-,23+/m0/s1
C23H38O4378.54541100
78076034

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23-/m0/s1/i6D2,11D2,15D
C23H33D5O4383.57621100
78273050

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23-/m0/s1
C23H38O4378.54541100
96316917

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16-,17+,18+,19-,21-,22-,23+/m0/s1
C23H38O4378.54541100

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