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: JPMAFFJEMGNVKR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21349746

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H21ClN4O5/c1-11(25)24-15(12-4-6-13(20)7-5-12)10-14(22-24)16-17(26)21-19(28)23(18(16)27)8-3-9-29-2/h4-7,15,22H,3,8-10H2,1-2H3,(H,21,26,28)/b16-14-
C19H21ClN4O5420.84689700
68005555

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H21ClN4O5/c1-11(25)24-15(12-4-6-13(20)7-5-12)10-14(22-24)16-17(26)21-19(28)23(18(16)27)8-3-9-29-2/h4-7,15,22H,3,8-10H2,1-2H3,(H,21,26,28)/b16-14+
C19H21ClN4O5420.84683300
5993034

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H21ClN4O5/c1-11(25)24-15(12-4-6-13(20)7-5-12)10-14(22-24)16-17(26)21-19(28)23(18(16)27)8-3-9-29-2/h4-7,15,22H,3,8-10H2,1-2H3,(H,21,26,28)/b16-14-/t15-/m0/s1
C19H21ClN4O5420.84682100
5993037

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H21ClN4O5/c1-11(25)24-15(12-4-6-13(20)7-5-12)10-14(22-24)16-17(26)21-19(28)23(18(16)27)8-3-9-29-2/h4-7,15,22H,3,8-10H2,1-2H3,(H,21,26,28)/b16-14-/t15-/m1/s1
C19H21ClN4O5420.84682100
35394346

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H21ClN4O5/c1-11(25)24-15(12-4-6-13(20)7-5-12)10-14(22-24)16-17(26)21-19(28)23(18(16)27)8-3-9-29-2/h4-7,15,22H,3,8-10H2,1-2H3,(H,21,26,28)
C19H21ClN4O5420.84681100

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