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 12 results

Search term: WOKFWJGVLJVTLH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
106727

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18+,19+,23-,25+,26+,27-/m0/s1
C30H27N5O7569.56477700
162946

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18+,19+,23+,25-,26-,27+/m0/s1
C30H27N5O7569.56475500
162551

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18+,19+,23+,25+,26-,27-/m0/s1
C30H27N5O7569.56474400
106556

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18+,19+,23?,25?,26?,27?/m0/s1
C30H27N5O7569.56473600
58780511

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18-,19-,23+,25-,26+,27+/m1/s1
C30H27N5O7569.56471100
58782037

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18-,19-,23-,25+,26+,27-/m1/s1
C30H27N5O7569.56471100
58782039

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18-,19-,23+,25+,26+,27-/m1/s1/i1D,2D,3D,4D,5D,6D,7D,8D
C30H19D8N5O7577.6141100
58782040

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18-,19-,23+,25-,26-,27+/m1/s1
C30H27N5O7569.56471100
58782073

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18-,19-,23+,25-,26-,27+/m1/s1/i1D,2D,3D,4D,5D,6D,7D,8D
C30H19D8N5O7577.6141100
58782451

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18-,19-,23-,25+,26+,27-/m1/s1/i1D,2D,3D,4D,5D,6D,7D,8D
C30H19D8N5O7577.6141100
58782452

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18-,19-,23+,25+,26+,27-/m1/s1
C30H27N5O7569.56471100
58782494

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18-,19-,23-,25-,26-,27+/m1/s1/i1D,2D,3D,4D,5D,6D,7D,8D
C30H19D8N5O7577.6141100

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