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
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Found 5 results

Search term: IFVRBXXBLQUPAA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8303074

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6-,7+,8+,9+,10-,11?,12?,16?,18?,19?,20-,21?/m1/s1
C21H27NO10453.43982100
9070954

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6-,7+,8+,9+,10+,11-,12+,16+,18-,19+,20-,21+/m1/s1
C21H27NO10453.43982100
23227268

5 of 12 defined stereocentres - 5/12 defined
InChI=1/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6-,7-,8?,9+,10+,11?,12?,16?,18?,19?,20-,21?/m1/s1
C21H27NO10453.43982200
23280870

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6-,7+,8+,9+,10+,11?,12+,16?,18?,19-,20-,21+/m1/s1
C21H27NO10453.43982200
34980736

4 of 12 defined stereocentres - 4/12 defined
InChI=1/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6?,7-,8?,9?,10-,11?,12-,16?,18?,19?,20+,21?/m0/s1
C21H27NO10453.43981100

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