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: IAWBDGWDEQIAPH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9127822

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32(48-37(43)28-18-8-2-9-19-28)33-34(49-38(44)29-20-10-3-11-21-29)35(50-39(45)30-22-12-4-13-23-30)41(51-33)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33+,34+,35-,41?/m1/s1
C41H32O11700.6862151600
206066

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32(48-37(43)28-18-8-2-9-19-28)33-34(49-38(44)29-20-10-3-11-21-29)35(50-39(45)30-22-12-4-13-23-30)41(51-33)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2
C41H32O11700.68626400
22903969

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32(48-37(43)28-18-8-2-9-19-28)33-34(49-38(44)29-20-10-3-11-21-29)35(50-39(45)30-22-12-4-13-23-30)41(51-33)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33?,34-,35+,41?/m0/s1
C41H32O11700.68624300
77499050

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32(48-37(43)28-18-8-2-9-19-28)33-34(49-38(44)29-20-10-3-11-21-29)35(50-39(45)30-22-12-4-13-23-30)41(51-33)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34-,35+,41?/m0/s1
C41H32O11700.68623400
58805437

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32(48-37(43)28-18-8-2-9-19-28)33-34(49-38(44)29-20-10-3-11-21-29)35(50-39(45)30-22-12-4-13-23-30)41(51-33)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35-,41-/m1/s1
C41H32O11700.68622100
9333401

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32(48-37(43)28-18-8-2-9-19-28)33-34(49-38(44)29-20-10-3-11-21-29)35(50-39(45)30-22-12-4-13-23-30)41(51-33)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33+,34+,35-,41+/m1/s1
C41H32O11700.68622100
29787792

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32(48-37(43)28-18-8-2-9-19-28)33-34(49-38(44)29-20-10-3-11-21-29)35(50-39(45)30-22-12-4-13-23-30)41(51-33)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32?,33-,34?,35?,41u/m0/s1
C41H32O11700.68621100
128926268

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32(48-37(43)28-18-8-2-9-19-28)33-34(49-38(44)29-20-10-3-11-21-29)35(50-39(45)30-22-12-4-13-23-30)41(51-33)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33+,34-,35-,41?/m1/s1
C41H32O11700.68621100

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