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: YQOJFYVIAPVKMS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8177768

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(3-19)7-4-27-12(28)8-5(1-2-22-8)11-17(27,26-14(20)23-11)9(7)16(10)13(29)24-15(21)25-16/h1-2,6-7,9-11,13,22,29H,3-4,19H2,(H3,20,23,26)(H3,21,24,25)/t6-,7+,9+,10-,11+,13+,16+,17-/m0/s1
C17H22ClN9O2419.86874300
10243336

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(3-19)7-4-27-12(28)8-5(1-2-22-8)11-17(27,26-14(20)23-11)9(7)16(10)13(29)24-15(21)25-16/h1-2,6-7,9-11,13,22,29H,3-4,19H2,(H3,20,23,26)(H3,21,24,25)/t6-,7+,9+,10-,11+,13-,16+,17-/m1/s1
C17H22ClN9O2419.86873329
8939887

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(3-19)7-4-27-12(28)8-5(1-2-22-8)11-17(27,26-14(20)23-11)9(7)16(10)13(29)24-15(21)25-16/h1-2,6-7,9-11,13,22,29H,3-4,19H2,(H3,20,23,26)(H3,21,24,25)/t6-,7+,9+,10-,11+,13-,16+,17+/m1/s1
C17H22ClN9O2419.86872100
74045927

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(3-19)7-4-27-12(28)8-5(1-2-22-8)11-17(27,26-14(20)23-11)9(7)16(10)13(29)24-15(21)25-16/h1-2,6-7,9-11,13,22,29H,3-4,19H2,(H3,20,23,26)(H3,21,24,25)/t6-,7+,9?,10-,11+,13-,16+,17?/m1/s1
C17H22ClN9O2419.86871100
74056536

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C17H22ClN9O2/c18-10-6(3-19)7-4-27-12(28)8-5(1-2-22-8)11-17(27,26-14(20)23-11)9(7)16(10)13(29)24-15(21)25-16/h1-2,6-7,9-11,13,22,29H,3-4,19H2,(H3,20,23,26)(H3,21,24,25)/t6-,7?,9?,10-,11?,13-,16+,17-/m0/s1
C17H22ClN9O2419.86871100

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