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 17 results

Search term: PIJVFDBKTWXHHD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5763


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
C15H21N3O2275.34611032944877384
4646

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
C15H21N3O2275.346144352000
580875

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m0/s1
C15H21N3O2275.3461131000
9578010

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m0/s1
C15H21N3O2275.34611093795277
23937018

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1/i2D3
C15H18D3N3O2278.36466500
5036153

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-/m1/s1
C15H21N3O2275.34615400
397214

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/i14-1
C1411CH21N3O2274.34694300
23167974

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m1/s1
C15H21N3O2275.34614400
10033676

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/p+1/t13-,15+/m1/s1
C15H22N3O2276.35353200
8977794

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1/i14+2
C1414CH21N3O2277.33872200
9996472

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13?,15-/m0/s1/i14-1
C1411CH21N3O2274.34692200
3807220

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/p+1
C15H22N3O2276.354081100
10039782

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/p+1/t13-,15-/m1/s1
C15H22N3O2276.35351100
21258768

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/p+2/t13-,15+/m1/s1
C15H23N3O2277.36091100
25024126

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13u,15-/m0/s1
C15H21N3O2275.34611100
113607719

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-/m0/s1
C15H21N3O2275.34611100

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