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 5 results

Search term: XQFBAGUGBNQLRT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
189302

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H58N2O3/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34/h24-31,37H,6-22H2,1-5H3/q+2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
C33H58N2O3530.82414500
8025645

Charge

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C33H58N2O3/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34/h24-31,37H,6-22H2,1-5H3/q+2/t24-,25+,26-,27-,28?,29?,30-,31?,32-,33-/m0/s1
C33H58N2O3530.82412100
142707

Charge

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C33H58N2O3/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34/h24-31,37H,6-22H2,1-5H3/q+2/t24-,25?,26?,27?,28?,29?,30-,31-,32-,33-/m0/s1
C33H58N2O3530.82412200
64756

Charge

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C33H58N2O3/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34/h24-31,37H,6-22H2,1-5H3/q+2/t24-,25?,26?,27?,28?,29-,30-,31?,32-,33-/m0/s1
C33H58N2O3530.82411100
8502761

Charge

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C33H58N2O3/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34/h24-31,37H,6-22H2,1-5H3/q+2/t24-,25?,26?,27?,28-,29-,30-,31-,32-,33-/m0/s1
C33H58N2O3530.82411100

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