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
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Found 33 results

Search term: IMONTRJLAWHYGT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5627


6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1
C22H28O3340.4559877566629
56719

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22+/m0/s1
C22H28O3340.4559343100
471291

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3
C22H28O3340.455914216629
4642474

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18?,19?,20?,21-,22-/m0/s1
C22H28O3340.455912700
17340834

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17?,18?,19?,20?,21?,22-/m0/s1
C22H28O3340.45594400
31043805

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m1/s1
C22H28O3340.45593100
7973804

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17?,18?,19?,20?,21-,22-/m0/s1
C22H28O3340.4559326629
107446427

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22+/m0/s1/i5D2,6D2,12D2,13D,17D
C22H20D8O3348.50523300
110805064

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21+,22+/m0/s1
C22H28O3340.45593300
8081611

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17?,18?,19-,20?,21+,22-/m1/s1
C22H28O3340.45592100
62422134

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18-,19-,20+,21-,22+/m0/s1
C22H28O3340.45592200
62625364

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18-,19+,20-,21-,22-/m1/s1
C22H28O3340.45592200
62634297

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18-,19-,20-,21-,22-/m0/s1
C22H28O3340.45592200
62634305

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20+,21-,22-/m1/s1
C22H28O3340.45592200
62634306

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19-,20-,21-,22+/m0/s1
C22H28O3340.45592200
628175

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19-,20+,21-,22+/m0/s1
C22H28O3340.45592100
142791

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22?/m0/s1
C22H28O3340.45592200
113607892

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18-,19-,20+,21+,22+/m0/s1
C22H28O3340.45591100
12

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