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 7 results

Search term: YWLNLOBROCLLKK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3477604

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H28N4O3/c1-15-6-4-5-7-21(15)28-11-10-22-19-12-18(8-9-20(19)25(26)27)24-13-16(2)23-17(3)14-24/h4-9,12,16-17,22-23H,10-11,13-14H2,1-3H3
C21H28N4O3384.47202211600
5571416

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28N4O3/c1-15-6-4-5-7-21(15)28-11-10-22-19-12-18(8-9-20(19)25(26)27)24-13-16(2)23-17(3)14-24/h4-9,12,16-17,22-23H,10-11,13-14H2,1-3H3/t16-,17+
C21H28N4O3384.4722100
5571418

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28N4O3/c1-15-6-4-5-7-21(15)28-11-10-22-19-12-18(8-9-20(19)25(26)27)24-13-16(2)23-17(3)14-24/h4-9,12,16-17,22-23H,10-11,13-14H2,1-3H3/t16-,17-/m1/s1
C21H28N4O3384.4722100
5571420

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28N4O3/c1-15-6-4-5-7-21(15)28-11-10-22-19-12-18(8-9-20(19)25(26)27)24-13-16(2)23-17(3)14-24/h4-9,12,16-17,22-23H,10-11,13-14H2,1-3H3/t16-,17-/m0/s1
C21H28N4O3384.4722100
5571419

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28N4O3/c1-15-6-4-5-7-21(15)28-11-10-22-19-12-18(8-9-20(19)25(26)27)24-13-16(2)23-17(3)14-24/h4-9,12,16-17,22-23H,10-11,13-14H2,1-3H3/p+1/t16-,17-/m0/s1
C21H29N4O3385.47941100
5571417

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28N4O3/c1-15-6-4-5-7-21(15)28-11-10-22-19-12-18(8-9-20(19)25(26)27)24-13-16(2)23-17(3)14-24/h4-9,12,16-17,22-23H,10-11,13-14H2,1-3H3/p+1/t16-,17-/m1/s1
C21H29N4O3385.47941100
5571415

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H28N4O3/c1-15-6-4-5-7-21(15)28-11-10-22-19-12-18(8-9-20(19)25(26)27)24-13-16(2)23-17(3)14-24/h4-9,12,16-17,22-23H,10-11,13-14H2,1-3H3/p+1/t16-,17+
C21H29N4O3385.47941100

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