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 4 results

Search term: OKRHRZHHNPBYMD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
437497

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C31H36N6O7/c1-15-13-37(29(42)34-27(15)40)24-10-21(35-36-33)23(44-24)14-43-28(41)25-16(12-32)8-20-19-5-4-17-9-18(38)6-7-30(17,2)26(19)22(39)11-31(20,25)3/h6-7,9,13,16,19-26,39H,4-5,8,10-11,14H2,1-3H3,(H,34,40,42)
C31H36N6O7604.65355300
2338942

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C31H36N6O7/c1-15-13-37(29(42)34-27(15)40)24-10-21(35-36-33)23(44-24)14-43-28(41)25-16(12-32)8-20-19-5-4-17-9-18(38)6-7-30(17,2)26(19)22(39)11-31(20,25)3/h6-7,9,13,16,19-26,39H,4-5,8,10-11,14H2,1-3H3,(H,34,40,42)/t16?,19-,20-,21-,22?,23+,24+,25?,26+,30-,31-/m0/s1
C31H37N6O7605.6614799999982200
327840

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C31H36N6O7/c1-15-13-37(29(42)34-27(15)40)24-10-21(35-36-33)23(44-24)14-43-28(41)25-16(12-32)8-20-19-5-4-17-9-18(38)6-7-30(17,2)26(19)22(39)11-31(20,25)3/h6-7,9,13,16,19-26,39H,4-5,8,10-11,14H2,1-3H3,(H,34,40,42)/t16-,19+,20?,21?,22+,23?,24?,25-,26?,30+,31+/m1/s1
C31H36N6O7604.65352200
400022

4 of 11 defined stereocentres - 4/11 defined
InChI=1/C31H36N6O7/c1-15-13-37(29(42)34-27(15)40)24-10-21(35-36-33)23(44-24)14-43-28(41)25-16(12-32)8-20-19-5-4-17-9-18(38)6-7-30(17,2)26(19)22(39)11-31(20,25)3/h6-7,9,13,16,19-26,39H,4-5,8,10-11,14H2,1-3H3,(H,34,40,42)/t16?,19?,20?,21-,22?,23+,24+,25+,26?,30?,31?/m0/s1
C31H36N6O7604.65352200

Advertisement