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 5 results

Search term: VRZYXKVDNUBKHN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10480461

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C23H27ClN2O8/c1-13(24)9-7-5-3-2-4-6-8-10-15(27)18-19(30)14(11-17(25)29)26(22(18)33)23-21(32)20(31)16(28)12-34-23/h2-10,14,16,20-21,23,27-28,31-32H,11-12H2,1H3,(H2,25,29)/b3-2+,6-4+,7-5+,10-8+,13-9-,18-15-/t14-,16+,20?,21?,23+/m0/s1
C23H27ClN2O8494.92213300
10182074

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H27ClN2O8/c1-13(24)9-7-5-3-2-4-6-8-10-15(27)18-19(30)14(11-17(25)29)26(22(18)33)23-21(32)20(31)16(28)12-34-23/h2-10,14,16,20-21,23,27-28,31-32H,11-12H2,1H3,(H2,25,29)/b3-2+,6-4+,7-5+,10-8+,13-9-,18-15-/t14-,16+,20-,21+,23+/m0/s1
C23H27ClN2O8494.92212200
29214460

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H27ClN2O8/c1-13(24)9-7-5-3-2-4-6-8-10-15(27)18-19(30)14(11-17(25)29)26(22(18)33)23-21(32)20(31)16(28)12-34-23/h2-10,14,16,20-21,23,27-28,31-32H,11-12H2,1H3,(H2,25,29)/b3-2+,6-4+,7-5+,10-8+,13-9-,18-15-/t14-,16+,20-,21+,23-/m0/s1
C23H27ClN2O8494.92212200
21431288

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C23H27ClN2O8/c1-13(24)9-7-5-3-2-4-6-8-10-15(27)18-19(30)14(11-17(25)29)26(22(18)33)23-21(32)20(31)16(28)12-34-23/h2-10,14,16,20-21,23,27-28,31-32H,11-12H2,1H3,(H2,25,29)/b3-2+,6-4+,7-5+,10-8+,13-9-,18-15-/t14-,16+,20-,21?,23+/m0/s1
C23H27ClN2O8494.92211100
28282457

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C23H27ClN2O8/c1-13(24)9-7-5-3-2-4-6-8-10-15(27)18-19(30)14(11-17(25)29)26(22(18)33)23-21(32)20(31)16(28)12-34-23/h2-10,14,16,20-21,23,27-28,31-32H,11-12H2,1H3,(H2,25,29)/b3-2+,6-4+,7-5+,10-8+,13-9-,18-15-/t14-,16+,20-,21+,23?/m0/s1
C23H27ClN2O8494.92211100

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