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 14 results

Search term: YKIRCSCMMMEEDI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446257

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
C20H29F3O4390.4370696241820
28565468

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2+,12-7+,13-8+
C20H29F3O4390.43712100
107562570

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3u,6-2+,12-7u,13-8+/t17-,18-/m1/s1
C20H29F3O4390.43712100
120329637

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3u,6-2+,12-7u,13-8+
C20H29F3O4390.43712200
111313296

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m0/s1
C20H29F3O4390.43711100
58183713

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2+,12-7+,13-8u/t17-,18-/m1/s1
C20H29F3O4390.43711100
64882366

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-
C20H29F3O4390.43711100
95583087

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3u,6-2+,12-7+,13-8u
C20H29F3O4390.43711100

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