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 4 results

Search term: WESCDBGGMVOYJU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
357961

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C35H54O10/c1-21(10-13-30(38)39-6)25-11-12-26-31-27(19-29(33(25,26)5)41-23(3)37)32(4)16-17-35(20-24(32)18-28(31)40-22(2)36)44-42-34(43-45-35)14-8-7-9-15-34/h21,24-29,31H,7-20H2,1-6H3/t21?,24-,25-,26?,27?,28-,29+,31?,32+,33-/m1/s1
C35H54O10634.79734300
9116469

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H54O10/c1-21(10-13-30(38)39-6)25-11-12-26-31-27(19-29(33(25,26)5)41-23(3)37)32(4)16-17-35(20-24(32)18-28(31)40-22(2)36)44-42-34(43-45-35)14-8-7-9-15-34/h21,24-29,31H,7-20H2,1-6H3/t21-,24-,25-,26+,27+,28-,29+,31+,32+,33-/m1/s1
C35H54O10634.79734300
31106760

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C35H54O10/c1-21(10-13-30(38)39-6)25-11-12-26-31-27(19-29(33(25,26)5)41-23(3)37)32(4)16-17-35(20-24(32)18-28(31)40-22(2)36)44-42-34(43-45-35)14-8-7-9-15-34/h21,24-29,31H,7-20H2,1-6H3/t21?,24-,25?,26+,27+,28-,29+,31+,32+,33-/m1/s1
C35H54O10634.79732200
58910247

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H54O10/c1-21(10-13-30(38)39-6)25-11-12-26-31-27(19-29(33(25,26)5)41-23(3)37)32(4)16-17-35(20-24(32)18-28(31)40-22(2)36)44-42-34(43-45-35)14-8-7-9-15-34/h21,24-29,31H,7-20H2,1-6H3/t21?,24-,25-,26+,27+,28-,29+,31+,32+,33-/m1/s1
C35H54O10634.79732200

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