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: VMIIVZLUGYTWOR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
330540

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C36H45BrN4O7/c1-19-15-21(3)47-30(43)17-28(23-11-13-24(42)14-12-23)40-34(45)29(16-26-25-9-7-8-10-27(25)39-32(26)37)41(6)35(46)22(4)38-33(44)20(2)18-36(5)31(19)48-36/h7-14,19-22,28-29,31,39,42H,15-18H2,1-6H3,(H,38,44)(H,40,45)/t19?,20-,21?,22?,28+,29+,31?,36?/m0/s1
C36H45BrN4O7725.66913100
2933273

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C36H45BrN4O7/c1-19-15-21(3)47-30(43)17-28(23-11-13-24(42)14-12-23)40-34(45)29(16-26-25-9-7-8-10-27(25)39-32(26)37)41(6)35(46)22(4)38-33(44)20(2)18-36(5)31(19)48-36/h7-14,19-22,28-29,31,39,42H,15-18H2,1-6H3,(H,38,44)(H,40,45)
C36H45BrN4O7725.6690999999993200
30813966

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C36H45BrN4O7/c1-19-15-21(3)47-30(43)17-28(23-11-13-24(42)14-12-23)40-34(45)29(16-26-25-9-7-8-10-27(25)39-32(26)37)41(6)35(46)22(4)38-33(44)20(2)18-36(5)31(19)48-36/h7-14,19-22,28-29,31,39,42H,15-18H2,1-6H3,(H,38,44)(H,40,45)/t19-,20+,21-,22+,28-,29-,31?,36?/m1/s1
C36H45BrN4O7725.66912200
317519

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C36H45BrN4O7/c1-19-15-21(3)47-30(43)17-28(23-11-13-24(42)14-12-23)40-34(45)29(16-26-25-9-7-8-10-27(25)39-32(26)37)41(6)35(46)22(4)38-33(44)20(2)18-36(5)31(19)48-36/h7-14,19-22,28-29,31,39,42H,15-18H2,1-6H3,(H,38,44)(H,40,45)/t19?,20-,21?,22?,28+,29?,31?,36?/m0/s1
C36H45BrN4O7725.66912100

Advertisement