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: QPEXUVZRKHXLPB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29400121

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H45N3O5/c1-20-16-32(21(2)19-33)29(35)24-10-7-11-25(30-28(34)23-12-14-36-15-13-23)27(24)37-26(20)18-31(3)17-22-8-5-4-6-9-22/h7,10-11,20-23,26,33H,4-6,8-9,12-19H2,1-3H3,(H,30,34)/t20-,21+,26-/m0/s1
C29H45N3O5515.68474400
58152398

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H45N3O5/c1-20-16-32(21(2)19-33)29(35)24-10-7-11-25(30-28(34)23-12-14-36-15-13-23)27(24)37-26(20)18-31(3)17-22-8-5-4-6-9-22/h7,10-11,20-23,26,33H,4-6,8-9,12-19H2,1-3H3,(H,30,34)/t20-,21+,26+/m1/s1
C29H45N3O5515.68472200
58153539

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H45N3O5/c1-20-16-32(21(2)19-33)29(35)24-10-7-11-25(30-28(34)23-12-14-36-15-13-23)27(24)37-26(20)18-31(3)17-22-8-5-4-6-9-22/h7,10-11,20-23,26,33H,4-6,8-9,12-19H2,1-3H3,(H,30,34)/t20-,21-,26-/m1/s1
C29H45N3O5515.68472200
58154169

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H45N3O5/c1-20-16-32(21(2)19-33)29(35)24-10-7-11-25(30-28(34)23-12-14-36-15-13-23)27(24)37-26(20)18-31(3)17-22-8-5-4-6-9-22/h7,10-11,20-23,26,33H,4-6,8-9,12-19H2,1-3H3,(H,30,34)/t20-,21+,26+/m0/s1
C29H45N3O5515.68472200
58154194

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H45N3O5/c1-20-16-32(21(2)19-33)29(35)24-10-7-11-25(30-28(34)23-12-14-36-15-13-23)27(24)37-26(20)18-31(3)17-22-8-5-4-6-9-22/h7,10-11,20-23,26,33H,4-6,8-9,12-19H2,1-3H3,(H,30,34)/t20-,21-,26+/m1/s1
C29H45N3O5515.68472200
58154330

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H45N3O5/c1-20-16-32(21(2)19-33)29(35)24-10-7-11-25(30-28(34)23-12-14-36-15-13-23)27(24)37-26(20)18-31(3)17-22-8-5-4-6-9-22/h7,10-11,20-23,26,33H,4-6,8-9,12-19H2,1-3H3,(H,30,34)/t20-,21-,26+/m0/s1
C29H45N3O5515.68472200

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