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 10 results

Search term: INDBQLZJXZLFIT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4739

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
C15H21N3O259.34671181106136626
2307256

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m0/s1
C15H21N3O259.34674181500
2307255

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m1/s1
C15H21N3O259.34674151300
48063425

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/i2D3
C15H18D3N3O262.36527800
160970

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/i7D2
C15H19D2N3O261.35914500
5360197

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/p+1/t11-/m1/s1
C15H22N3O260.35412100
21258596

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/p+1
C15H22N3O260.35412200
115006610

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/i2+1D3
C1413CH18D3N3O263.35792200
76842820

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/i4D,6D,8D,9D,10D
C15H16D5N3O264.37761100
5360196

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/p+1/t11-/m0/s1
C15H22N3O260.35411100

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