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 6 results

Search term: ZJNIFIHUHWUOJP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3986130

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H25NO5/c1-2-21-16(19)13-5-3-7-17(9-13)10-14(18)11-20-12-15-6-4-8-22-15/h4,6,8,13-14,18H,2-3,5,7,9-12H2,1H3
C16H25NO5311.373411900
6421034

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO5/c1-2-21-16(19)13-5-3-7-17(9-13)10-14(18)11-20-12-15-6-4-8-22-15/h4,6,8,13-14,18H,2-3,5,7,9-12H2,1H3/t13-,14+/m1/s1
C16H25NO5311.37342100
6421037

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO5/c1-2-21-16(19)13-5-3-7-17(9-13)10-14(18)11-20-12-15-6-4-8-22-15/h4,6,8,13-14,18H,2-3,5,7,9-12H2,1H3/t13-,14-/m0/s1
C16H25NO5311.37342100
70012248

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H25NO5/c1-2-21-16(19)13-5-3-7-17(9-13)10-14(18)11-20-12-15-6-4-8-22-15/h4,6,8,13-14,18H,2-3,5,7,9-12H2,1H3/t13-,14?/m1/s1
C16H25NO5311.37341100
6421036

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO5/c1-2-21-16(19)13-5-3-7-17(9-13)10-14(18)11-20-12-15-6-4-8-22-15/h4,6,8,13-14,18H,2-3,5,7,9-12H2,1H3/p+1/t13-,14-/m0/s1
C16H26NO5312.38081100
6421033

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H25NO5/c1-2-21-16(19)13-5-3-7-17(9-13)10-14(18)11-20-12-15-6-4-8-22-15/h4,6,8,13-14,18H,2-3,5,7,9-12H2,1H3/p+1/t13-,14+/m1/s1
C16H26NO5312.38081100

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