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 26 results

Search term: BJRNKVDFDLYUGJ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
389765

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
C12H16O7272.2512121134416184
139552

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
C12H16O7272.2512866830
580846

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m0/s1
C12H16O7272.251210700
21241189

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8?,9-,10-,11?,12-/m1/s1
C12H16O7272.25128600
103835345

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1/i1D,2D,3D,4D
C12H12D4O7276.27596600
555303

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
C12H16O7272.25125400
18586862

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12?/m1/s1
C12H16O7272.25124300
30647756

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12+/m0/s1
C12H16O7272.25124200
58781890

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8?,9-,10+,11?,12-/m1/s1
C12H16O7272.25124400
22906435

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9?,10+,11?,12-/m1/s1
C12H16O7272.25123100
5893708

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10-,11-,12-/m1/s1
C12H16O7272.25123200
9921

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8?,9-,10?,11?,12-/m1/s1
C12H16O7272.25123300
5415625

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9+,10+,11+,12+/m0/s1
C12H16O7272.25122100
5448058

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11+,12-/m1/s1
C12H16O7272.25122100
5448059

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9+,10+,11+,12-/m1/s1
C12H16O7272.25122100
5893704

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9+,10-,11+,12+/m0/s1
C12H16O7272.25122100
21427648

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10-,11+,12-/m0/s1
C12H16O7272.25122100
107445047

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1/i5+1,8+1,9+1,10+1,11+1,12+1
C613C6H16O7278.20722300
114642431

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9+,10+,11-,12+/m1/s1
C12H16O7272.25122200
114724456

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8?,9-,10?,11+,12+/m1/s1
C12H16O7272.25122200
12

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