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: HFQPJSWAWCUYGF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17467251

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H25NO8/c1-4-5-6-13-9-18(25)30-19-11(2)16(8-7-14(13)19)29-12(3)20(26)22-15(21(27)28)10-17(23)24/h7-9,12,15H,4-6,10H2,1-3H3,(H,22,26)(H,23,24)(H,27,28)/t12?,15-/m0/s1
C21H25NO8419.425111800
1400439

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H25NO8/c1-4-5-6-13-9-18(25)30-19-11(2)16(8-7-14(13)19)29-12(3)20(26)22-15(21(27)28)10-17(23)24/h7-9,12,15H,4-6,10H2,1-3H3,(H,22,26)(H,23,24)(H,27,28)/t12-,15-/m0/s1
C21H25NO8419.42512100
1400441

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H25NO8/c1-4-5-6-13-9-18(25)30-19-11(2)16(8-7-14(13)19)29-12(3)20(26)22-15(21(27)28)10-17(23)24/h7-9,12,15H,4-6,10H2,1-3H3,(H,22,26)(H,23,24)(H,27,28)/t12-,15+/m1/s1
C21H25NO8419.42512100
4334125

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H25NO8/c1-4-5-6-13-9-18(25)30-19-11(2)16(8-7-14(13)19)29-12(3)20(26)22-15(21(27)28)10-17(23)24/h7-9,12,15H,4-6,10H2,1-3H3,(H,22,26)(H,23,24)(H,27,28)
C21H25NO8419.42512100
1400440

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H25NO8/c1-4-5-6-13-9-18(25)30-19-11(2)16(8-7-14(13)19)29-12(3)20(26)22-15(21(27)28)10-17(23)24/h7-9,12,15H,4-6,10H2,1-3H3,(H,22,26)(H,23,24)(H,27,28)/p-2/t12-,15+/m1/s1
C21H23NO8417.41031100
1400438

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H25NO8/c1-4-5-6-13-9-18(25)30-19-11(2)16(8-7-14(13)19)29-12(3)20(26)22-15(21(27)28)10-17(23)24/h7-9,12,15H,4-6,10H2,1-3H3,(H,22,26)(H,23,24)(H,27,28)/p-2/t12-,15-/m0/s1
C21H23NO8417.41031100

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