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: SBMHTRUNPKWTLU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4510604

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/b13-8-/t16-,17-,18-,19+,20-,21+/m0/s1
C21H30O3330.46118700
5004857

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/b13-8+/t16-,17-,18-,19+,20-,21+/m0/s1
C21H30O3330.46115400
2985121

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3
C21H30O3330.46113200
58819338

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/t16-,17-,18-,19+,20-,21+/m0/s1
C21H30O3330.46113200
8077710

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/b13-8+/t16?,17?,18-,19?,20-,21+/m0/s1
C21H30O3330.46112100
4745572

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/b13-8+
C21H30O3330.46112200
58817021

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/b13-8-/t16-,17-,18-,19+,20-,21?/m0/s1
C21H30O3330.46111100

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