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: ZGXJQYYNKIWLEG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4241326

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H21N5O6/c1-11-15(20(27)31-9-12-5-4-8-30-12)17(13-6-2-3-7-14(13)25(28)29)24-10-22-16(18(21)26)19(24)23-11/h2-3,6-7,10,12,17,23H,4-5,8-9H2,1H3,(H2,21,26)
C20H21N5O6427.41064141000
7820938

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H21N5O6/c1-11-15(20(27)31-9-12-5-4-8-30-12)17(13-6-2-3-7-14(13)25(28)29)24-10-22-16(18(21)26)19(24)23-11/h2-3,6-7,10,12,17,23H,4-5,8-9H2,1H3,(H2,21,26)/t12-,17-/m0/s1
C20H21N5O6427.41062100
7820939

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H21N5O6/c1-11-15(20(27)31-9-12-5-4-8-30-12)17(13-6-2-3-7-14(13)25(28)29)24-10-22-16(18(21)26)19(24)23-11/h2-3,6-7,10,12,17,23H,4-5,8-9H2,1H3,(H2,21,26)/t12-,17+/m0/s1
C20H21N5O6427.41062100
7820940

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H21N5O6/c1-11-15(20(27)31-9-12-5-4-8-30-12)17(13-6-2-3-7-14(13)25(28)29)24-10-22-16(18(21)26)19(24)23-11/h2-3,6-7,10,12,17,23H,4-5,8-9H2,1H3,(H2,21,26)/t12-,17+/m1/s1
C20H21N5O6427.41062100
7820941

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H21N5O6/c1-11-15(20(27)31-9-12-5-4-8-30-12)17(13-6-2-3-7-14(13)25(28)29)24-10-22-16(18(21)26)19(24)23-11/h2-3,6-7,10,12,17,23H,4-5,8-9H2,1H3,(H2,21,26)/t12-,17-/m1/s1
C20H21N5O6427.41062100

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