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: RQJMVHWEHCMZQS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4691966

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21NO5/c1-13-3-7-15(8-4-13)19-18(20(26)16-9-5-14(2)6-10-16)21(27)22(28)23(19)12-11-17(24)25/h3-10,19,26H,11-12H2,1-2H3,(H,24,25)/b20-18+
C22H21NO5379.40585300
5377574

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H21NO5/c1-13-3-7-15(8-4-13)19-18(20(26)16-9-5-14(2)6-10-16)21(27)22(28)23(19)12-11-17(24)25/h3-10,19,26H,11-12H2,1-2H3,(H,24,25)/t19-/m0/s1
C22H21NO5379.40582100
5377576

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H21NO5/c1-13-3-7-15(8-4-13)19-18(20(26)16-9-5-14(2)6-10-16)21(27)22(28)23(19)12-11-17(24)25/h3-10,19,26H,11-12H2,1-2H3,(H,24,25)/t19-/m1/s1
C22H21NO5379.40582100
2393366

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21NO5/c1-13-3-7-15(8-4-13)19-18(20(26)16-9-5-14(2)6-10-16)21(27)22(28)23(19)12-11-17(24)25/h3-10,19,26H,11-12H2,1-2H3,(H,24,25)
C22H21NO5379.405842100
17495357

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21NO5/c1-13-3-7-15(8-4-13)19-18(20(26)16-9-5-14(2)6-10-16)21(27)22(28)23(19)12-11-17(24)25/h3-10,19,26H,11-12H2,1-2H3,(H,24,25)/b20-18-
C22H21NO5379.40581100
5377575

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H21NO5/c1-13-3-7-15(8-4-13)19-18(20(26)16-9-5-14(2)6-10-16)21(27)22(28)23(19)12-11-17(24)25/h3-10,19,26H,11-12H2,1-2H3,(H,24,25)/p-1/t19-/m1/s1
C22H20NO5378.39841100
5377573

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H21NO5/c1-13-3-7-15(8-4-13)19-18(20(26)16-9-5-14(2)6-10-16)21(27)22(28)23(19)12-11-17(24)25/h3-10,19,26H,11-12H2,1-2H3,(H,24,25)/p-1/t19-/m0/s1
C22H20NO5378.39841100

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