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 6 results

Search term: XXSFYXYFPKKBAM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4497121

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H19ClN2O3S/c1-3-29-22(28)19-14(2)25-23-26(20(19)16-7-5-4-6-8-16)21(27)18(30-23)13-15-9-11-17(24)12-10-15/h4-13,20H,3H2,1-2H3/b18-13+
C23H19ClN2O3S438.9266201500
4683476

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H19ClN2O3S/c1-3-29-22(28)19-14(2)25-23-26(20(19)16-7-5-4-6-8-16)21(27)18(30-23)13-15-9-11-17(24)12-10-15/h4-13,20H,3H2,1-2H3/b18-13-
C23H19ClN2O3S438.9266151000
22858006

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H19ClN2O3S/c1-3-29-22(28)19-14(2)25-23-26(20(19)16-7-5-4-6-8-16)21(27)18(30-23)13-15-9-11-17(24)12-10-15/h4-13,20H,3H2,1-2H3/b18-13+/t20-/m1/s1
C23H19ClN2O3S438.92668600
2125351

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H19ClN2O3S/c1-3-29-22(28)19-14(2)25-23-26(20(19)16-7-5-4-6-8-16)21(27)18(30-23)13-15-9-11-17(24)12-10-15/h4-13,20H,3H2,1-2H3
C23H19ClN2O3S438.926564200
5372616

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H19ClN2O3S/c1-3-29-22(28)19-14(2)25-23-26(20(19)16-7-5-4-6-8-16)21(27)18(30-23)13-15-9-11-17(24)12-10-15/h4-13,20H,3H2,1-2H3/t20-/m1/s1
C23H19ClN2O3S438.92663200
5375646

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H19ClN2O3S/c1-3-29-22(28)19-14(2)25-23-26(20(19)16-7-5-4-6-8-16)21(27)18(30-23)13-15-9-11-17(24)12-10-15/h4-13,20H,3H2,1-2H3/t20-/m0/s1
C23H19ClN2O3S438.92662100

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