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: AGGNNZKNWLCKAW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10311664

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C37H61NO9/c1-20(19-45-23(4)41)8-7-9-21(2)28-17-29(46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35)31-26-11-10-24-16-25(42)12-14-36(24,5)27(26)13-15-37(28,31)6/h10,20-21,25-35,39,42-44H,7-9,11-19H2,1-6H3,(H,38,40)/t20-,21-,25+,26-,27+,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-/m1/s1
C37H61NO9663.88156811
10311659

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C37H61NO9/c1-20(19-45-23(4)41)8-7-9-21(2)28-17-29(46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35)31-26-11-10-24-16-25(42)12-14-36(24,5)27(26)13-15-37(28,31)6/h10,20-21,25-35,39,42-44H,7-9,11-19H2,1-6H3,(H,38,40)/t20-,21-,25-,26-,27+,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-/m1/s1
C37H61NO9663.88153300
32700638

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C37H61NO9/c1-20(19-45-23(4)41)8-7-9-21(2)28-17-29(46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35)31-26-11-10-24-16-25(42)12-14-36(24,5)27(26)13-15-37(28,31)6/h10,20-21,25-35,39,42-44H,7-9,11-19H2,1-6H3,(H,38,40)/t20-,21-,25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36+,37-/m1/s1
C37H61NO9663.88153500
161128

11 of 15 defined stereocentres - 11/15 defined
InChI=1/C37H61NO9/c1-20(19-45-23(4)41)8-7-9-21(2)28-17-29(46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35)31-26-11-10-24-16-25(42)12-14-36(24,5)27(26)13-15-37(28,31)6/h10,20-21,25-35,39,42-44H,7-9,11-19H2,1-6H3,(H,38,40)/t20-,21-,25?,26?,27?,28-,29-,30-,31?,32-,33-,34+,35-,36+,37-/m1/s1
C37H61NO9663.88152200
10472686

10 of 15 defined stereocentres - 10/15 defined
InChI=1/C37H61NO9/c1-20(19-45-23(4)41)8-7-9-21(2)28-17-29(46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35)31-26-11-10-24-16-25(42)12-14-36(24,5)27(26)13-15-37(28,31)6/h10,20-21,25-35,39,42-44H,7-9,11-19H2,1-6H3,(H,38,40)/t20-,21-,25-,26-,27?,28?,29+,30?,31?,32?,33-,34-,35-,36+,37-/m1/s1
C37H61NO9663.88152200
29215972

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C37H61NO9/c1-20(19-45-23(4)41)8-7-9-21(2)28-17-29(46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35)31-26-11-10-24-16-25(42)12-14-36(24,5)27(26)13-15-37(28,31)6/h10,20-21,25-35,39,42-44H,7-9,11-19H2,1-6H3,(H,38,40)/t20-,21-,25+,26-,27+,28-,29+,30?,31-,32?,33-,34-,35-,36+,37-/m1/s1
C37H61NO9663.88152200

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