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 27 results

Search term: XUGMDBJXWCFLRQ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9428472

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12-/m1/s1
C12H16O5240.2524333000
9108839

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12-/m0/s1
C12H16O5240.2524262200
9405242

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12+/m1/s1
C12H16O5240.2524261900
133544

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12-/m1/s1
C12H16O5240.2524202930
190931

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2
C12H16O5240.2524111500
2496762

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11-,12-/m0/s1
C12H16O5240.25244400
9428476

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12+/m0/s1
C12H16O5240.25244200
9911290

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11+,12+/m1/s1
C12H16O5240.25244300
23977388

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11?,12-/m1/s1
C12H16O5240.25244300
57620465

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12+/m1/s1
C12H16O5240.25243100
62840906

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11-,12-/m1/s1
C12H16O5240.25243200
71116206

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11?,12-/m0/s1
C12H16O5240.25242200
71116222

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11?,12+/m1/s1
C12H16O5240.25242200
76920206

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11+,12-/m1/s1
C12H16O5240.25242200
57621242

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11+,12?/m1/s1
C12H16O5240.25242100
9739733

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12+/m0/s1
C12H16O5240.25242100
5145559

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12-/m0/s1
C12H16O5240.25242100
97508944

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11?,12+/m1/s1
C12H16O5240.25241100
108523944

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11?,12+/m0/s1
C12H16O5240.25241100
12

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