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 6 results

Search term: GUZNBJVWGXUUJC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23717847

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H27BrN4O3/c1-35-25-9-8-18(13-29-30-27(34)20-4-2-5-23(28)12-20)10-22(25)17-31-14-19-11-21(16-31)24-6-3-7-26(33)32(24)15-19/h2-10,12-13,19,21H,11,14-17H2,1H3,(H,30,34)/b29-13+/t19-,21-/m0/s1
C27H27BrN4O3535.43236400
22886648

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C27H27BrN4O3/c1-35-25-9-8-18(13-29-30-27(34)20-4-2-5-23(28)12-20)10-22(25)17-31-14-19-11-21(16-31)24-6-3-7-26(33)32(24)15-19/h2-10,12-13,19,21H,11,14-17H2,1H3,(H,30,34)/b29-13+/t19?,21-/m0/s1
C27H27BrN4O3535.43234200
81422571

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H27BrN4O3/c1-35-25-9-8-18(13-29-30-27(34)20-4-2-5-23(28)12-20)10-22(25)17-31-14-19-11-21(16-31)24-6-3-7-26(33)32(24)15-19/h2-10,12-13,19,21H,11,14-17H2,1H3,(H,30,34)/b29-13+/t19-,21+/m1/s1
C27H27BrN4O3535.43234300
60552072

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H27BrN4O3/c1-35-25-9-8-18(13-29-30-27(34)20-4-2-5-23(28)12-20)10-22(25)17-31-14-19-11-21(16-31)24-6-3-7-26(33)32(24)15-19/h2-10,12-13,19,21H,11,14-17H2,1H3,(H,30,34)/b29-13+/t19-,21+/m0/s1
C27H27BrN4O3535.43233200
64866653

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H27BrN4O3/c1-35-25-9-8-18(13-29-30-27(34)20-4-2-5-23(28)12-20)10-22(25)17-31-14-19-11-21(16-31)24-6-3-7-26(33)32(24)15-19/h2-10,12-13,19,21H,11,14-17H2,1H3,(H,30,34)/b29-13+
C27H27BrN4O3535.43232200
3868835

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H27BrN4O3/c1-35-25-9-8-18(13-29-30-27(34)20-4-2-5-23(28)12-20)10-22(25)17-31-14-19-11-21(16-31)24-6-3-7-26(33)32(24)15-19/h2-10,12-13,19,21H,11,14-17H2,1H3,(H,30,34)
C27H27BrN4O3535.43232100

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