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 8 results

Search term: XJOKJGJIQOUXDC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62568593

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12+,13-,14+,15+,16-,17-,18+,19-,21-/m1/s1
C21H30O14506.45452200
62568597

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12-,13+,14-,15+,16-,17+,18+,19+,21+/m0/s1
C21H30O14506.45452200
62570114

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21-/m1/s1
C21H30O14506.45452400
62574752

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12-,13+,14+,15+,16+,17-,18+,19-,21-/m1/s1
C21H30O14506.45452300
62574760

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12-,13+,14-,15+,16-,17+,18-,19+,21+/m0/s1
C21H30O14506.45452300
62574833

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12+,13-,14+,15+,16+,17-,18-,19+,21-/m1/s1
C21H30O14506.45452200
62574838

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12-,13+,14-,15+,16+,17-,18-,19+,21-/m1/s1
C21H30O14506.45452200

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