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: PFFAEGXDXRLPED (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3002561

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H29N3O6/c1-28-16-10-14-15(11-17(16)29-2)22-20(21(27)30-3)19(14)23-18(26)12-24-8-5-4-6-13(24)7-9-25/h10-11,13,22,25H,4-9,12H2,1-3H3,(H,23,26)
C21H29N3O6419.4714614900
1390842

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H29N3O6/c1-28-16-10-14-15(11-17(16)29-2)22-20(21(27)30-3)19(14)23-18(26)12-24-8-5-4-6-13(24)7-9-25/h10-11,13,22,25H,4-9,12H2,1-3H3,(H,23,26)/t13-/m0/s1
C21H29N3O6419.47152100
1390844

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H29N3O6/c1-28-16-10-14-15(11-17(16)29-2)22-20(21(27)30-3)19(14)23-18(26)12-24-8-5-4-6-13(24)7-9-25/h10-11,13,22,25H,4-9,12H2,1-3H3,(H,23,26)/t13-/m1/s1
C21H29N3O6419.47152100
1390841

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H29N3O6/c1-28-16-10-14-15(11-17(16)29-2)22-20(21(27)30-3)19(14)23-18(26)12-24-8-5-4-6-13(24)7-9-25/h10-11,13,22,25H,4-9,12H2,1-3H3,(H,23,26)/p+1/t13-/m0/s1
C21H30N3O6420.47891100
1390843

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H29N3O6/c1-28-16-10-14-15(11-17(16)29-2)22-20(21(27)30-3)19(14)23-18(26)12-24-8-5-4-6-13(24)7-9-25/h10-11,13,22,25H,4-9,12H2,1-3H3,(H,23,26)/p+1/t13-/m1/s1
C21H30N3O6420.47891100

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