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 9 results

Search term: SETQYEOWBPZUAW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
112898

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C38H45N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,35-36,39H,18-24H2,1-4H3
C38H45N4O7P700.76036300
8185520

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C38H45N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,35-36,39H,18-24H2,1-4H3/t26-,27-,35+/m0/s1
C38H45N4O7P700.76032100
8231073

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C38H45N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,35-36,39H,18-24H2,1-4H3/t26-,27+,35-,50?/m1/s1
C38H45N4O7P700.76032100
8434661

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C38H45N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,35-36,39H,18-24H2,1-4H3/t26-,27-,35-/m0/s1
C38H45N4O7P700.76032100
8502847

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C38H45N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,35-36,39H,18-24H2,1-4H3/t26-,27-,35+/m1/s1
C38H45N4O7P700.76032100
8570415

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C38H45N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,35-36,39H,18-24H2,1-4H3/t26-,27-,35?/m0/s1
C38H45N4O7P700.76032100
8615137

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C38H45N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,35-36,39H,18-24H2,1-4H3/t26-,27-,35?/m1/s1
C38H45N4O7P700.76032100
8615138

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C38H45N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,35-36,39H,18-24H2,1-4H3/t26-,27+,35-,50?/m0/s1
C38H45N4O7P700.76032100
8637804

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C38H45N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,35-36,39H,18-24H2,1-4H3/t26-,27-,35-/m1/s1
C38H45N4O7P700.76032100

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