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 5 results

Search term: DSNYWQYDTPGYEI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17468804

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C31H39N3O5/c1-19(2)38-15-9-14-33-18-27(35)34-17-23(21-12-13-25(39-20(3)4)26(16-21)37-6)28-22-10-7-8-11-24(22)32-29(28)31(34,5)30(33)36/h7-8,10-13,16,19-20,23,32H,9,14-15,17-18H2,1-6H3/t23?,31-/m0/s1
C31H39N3O5533.658512800
62487730

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H39N3O5/c1-19(2)38-15-9-14-33-18-27(35)34-17-23(21-12-13-25(39-20(3)4)26(16-21)37-6)28-22-10-7-8-11-24(22)32-29(28)31(34,5)30(33)36/h7-8,10-13,16,19-20,23,32H,9,14-15,17-18H2,1-6H3/t23-,31-/m0/s1
C31H39N3O5533.65852200
4022855

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H39N3O5/c1-19(2)38-15-9-14-33-18-27(35)34-17-23(21-12-13-25(39-20(3)4)26(16-21)37-6)28-22-10-7-8-11-24(22)32-29(28)31(34,5)30(33)36/h7-8,10-13,16,19-20,23,32H,9,14-15,17-18H2,1-6H3
C31H39N3O5533.6584599999992100
62698477

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H39N3O5/c1-19(2)38-15-9-14-33-18-27(35)34-17-23(21-12-13-25(39-20(3)4)26(16-21)37-6)28-22-10-7-8-11-24(22)32-29(28)31(34,5)30(33)36/h7-8,10-13,16,19-20,23,32H,9,14-15,17-18H2,1-6H3/t23-,31+/m0/s1
C31H39N3O5533.65851100
24813181

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C31H39N3O5/c1-19(2)38-15-9-14-33-18-27(35)34-17-23(21-12-13-25(39-20(3)4)26(16-21)37-6)28-22-10-7-8-11-24(22)32-29(28)31(34,5)30(33)36/h7-8,10-13,16,19-20,23,32H,9,14-15,17-18H2,1-6H3/t23?,31-/m1/s1
C31H39N3O5533.65851100

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