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
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Found 4 results

Search term: SOXAEWSPCHJPNE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22880176

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H27N3O6/c1-12(2)18(20(26)21-6-7-27-3)22-19(25)13-8-17(24)23(10-13)14-4-5-15-16(9-14)29-11-28-15/h4-5,9,12-13,18H,6-8,10-11H2,1-3H3,(H,21,26)(H,22,25)/t13?,18-/m0/s1
C20H27N3O6405.444910800
4094309

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H27N3O6/c1-12(2)18(20(26)21-6-7-27-3)22-19(25)13-8-17(24)23(10-13)14-4-5-15-16(9-14)29-11-28-15/h4-5,9,12-13,18H,6-8,10-11H2,1-3H3,(H,21,26)(H,22,25)
C20H27N3O6405.444882100
5949437

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27N3O6/c1-12(2)18(20(26)21-6-7-27-3)22-19(25)13-8-17(24)23(10-13)14-4-5-15-16(9-14)29-11-28-15/h4-5,9,12-13,18H,6-8,10-11H2,1-3H3,(H,21,26)(H,22,25)/t13-,18+/m1/s1
C20H27N3O6405.44492100
5949440

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H27N3O6/c1-12(2)18(20(26)21-6-7-27-3)22-19(25)13-8-17(24)23(10-13)14-4-5-15-16(9-14)29-11-28-15/h4-5,9,12-13,18H,6-8,10-11H2,1-3H3,(H,21,26)(H,22,25)/t13-,18-/m0/s1
C20H27N3O6405.44492100

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