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 15 results

Search term: VSZGPKBBMSAYNT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58540

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
C16H28N2O4312.404597162151545
4442

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)
C16H28N2O4312.40451136600
24609661

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15?/m0/s1
C16H28N2O4312.40457100
21238810

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/p+1/t13-,14+,15+/m0/s1
C16H29N2O4313.41193200
22937727

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m1/s1
C16H28N2O4312.40453300
114392507

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1/i4D3
C16H25D3N2O4315.4233300
107450574

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15-/m0/s1
C16H28N2O4312.40452200
23313034

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1/i10-1
C1511CH28N2O4311.40532200
107447375

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14-,15-/m1/s1
C16H28N2O4312.40452200
107450573

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14-,15+/m0/s1
C16H28N2O4312.40451100
71044114

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15?/m1/s1
C16H28N2O4312.404512200
107446398

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14?,15+/m0/s1/i4D3
C16H25D3N2O4315.4231200
107450809

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14-,15-/m0/s1
C16H28N2O4312.40451100

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