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: DXLFHVNETQTLLA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
118453

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H32N2O7/c1-14-8-10-27(11-9-15(2)25(36-27)16(3)24(31)17-5-4-12-28-17)35-20(14)13-21-29-23-19(34-21)7-6-18(30)22(23)26(32)33/h4-7,12,14-16,20,25,28,30H,8-11,13H2,1-3H3,(H,32,33)/t14-,15-,16?,20-,25+,27+/m1/s1
C27H32N2O7496.55223400
2328784

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C27H32N2O7/c1-14-8-10-27(11-9-15(2)25(36-27)16(3)24(31)17-5-4-12-28-17)35-20(14)13-21-29-23-19(34-21)7-6-18(30)22(23)26(32)33/h4-7,12,14-16,20,25,28,30H,8-11,13H2,1-3H3,(H,32,33)/t14-,15-,16?,20-,25?,27?/m1/s1
C27H32N2O7496.552183300
28564335

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H32N2O7/c1-14-8-10-27(11-9-15(2)25(36-27)16(3)24(31)17-5-4-12-28-17)35-20(14)13-21-29-23-19(34-21)7-6-18(30)22(23)26(32)33/h4-7,12,14-16,20,25,28,30H,8-11,13H2,1-3H3,(H,32,33)
C27H32N2O7496.55223200
59701301

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H32N2O7/c1-14-8-10-27(11-9-15(2)25(36-27)16(3)24(31)17-5-4-12-28-17)35-20(14)13-21-29-23-19(34-21)7-6-18(30)22(23)26(32)33/h4-7,12,14-16,20,25,28,30H,8-11,13H2,1-3H3,(H,32,33)/t14-,15-,16-,20-,25-,27+/m1/s1
C27H32N2O7496.55222100
8227081

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C27H32N2O7/c1-14-8-10-27(11-9-15(2)25(36-27)16(3)24(31)17-5-4-12-28-17)35-20(14)13-21-29-23-19(34-21)7-6-18(30)22(23)26(32)33/h4-7,12,14-16,20,25,28,30H,8-11,13H2,1-3H3,(H,32,33)/t14-,15?,16?,20?,25?,27?/m1/s1
C27H32N2O7496.55222100
95637866

Charge

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H32N2O7/c1-14-8-10-27(11-9-15(2)25(36-27)16(3)24(31)17-5-4-12-28-17)35-20(14)13-21-29-23-19(34-21)7-6-18(30)22(23)26(32)33/h4-7,12,14-16,20,25,28,30H,8-11,13H2,1-3H3,(H,32,33)/p-1
C27H31N2O7495.54481100

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