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
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Found 6 results

Search term: SZGUWLDVMTURRF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17464869

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H38N2O3/c1-4-30(5-2)24-14-12-23(13-15-24)28-26-8-6-7-19-29(26,33)20-21-31(28)27(32)18-11-22-9-16-25(34-3)17-10-22/h9-18,26,28,33H,4-8,19-21H2,1-3H3/b18-11+/t26-,28-,29-/m0/s1
C29H38N2O3462.62369500
22905565

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H38N2O3/c1-4-30(5-2)24-14-12-23(13-15-24)28-26-8-6-7-19-29(26,33)20-21-31(28)27(32)18-11-22-9-16-25(34-3)17-10-22/h9-18,26,28,33H,4-8,19-21H2,1-3H3/b18-11+
C29H38N2O3462.62363100
60554343

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C29H38N2O3/c1-4-30(5-2)24-14-12-23(13-15-24)28-26-8-6-7-19-29(26,33)20-21-31(28)27(32)18-11-22-9-16-25(34-3)17-10-22/h9-18,26,28,33H,4-8,19-21H2,1-3H3/b18-11+/t26?,28-,29?/m0/s1
C29H38N2O3462.62363200
62628735

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H38N2O3/c1-4-30(5-2)24-14-12-23(13-15-24)28-26-8-6-7-19-29(26,33)20-21-31(28)27(32)18-11-22-9-16-25(34-3)17-10-22/h9-18,26,28,33H,4-8,19-21H2,1-3H3/b18-11+/t26-,28+,29+/m1/s1
C29H38N2O3462.62362200
2958868

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H38N2O3/c1-4-30(5-2)24-14-12-23(13-15-24)28-26-8-6-7-19-29(26,33)20-21-31(28)27(32)18-11-22-9-16-25(34-3)17-10-22/h9-18,26,28,33H,4-8,19-21H2,1-3H3
C29H38N2O3462.623622100
35312346

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H38N2O3/c1-4-30(5-2)24-14-12-23(13-15-24)28-26-8-6-7-19-29(26,33)20-21-31(28)27(32)18-11-22-9-16-25(34-3)17-10-22/h9-18,26,28,33H,4-8,19-21H2,1-3H3/t26-,28-,29-/m0/s1
C29H38N2O3462.62361100

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